Tìm theo
5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
Thuốc Gốc
Small Molecule
CTHH: C19H24N2O3
PTK: 328.4055
5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. This medication is known to target genome polyprotein.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H24N2O3
Phân tử khối
328.4055
Monoisotopic mass
328.178692644
InChI
InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m0/s1
InChI Key
InChIKey=UXIYKMARWUSIKU-HNNXBMFYSA-N
IUPAC Name
3-methyl-5-(5-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}pentyl)-1,2-oxazole
Traditional IUPAC Name
3-methyl-5-(5-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}pentyl)-1,2-oxazole
SMILES
[H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCC2=CC(C)=NO2)C=C1
Độ hòa tan
2.19e-02 g/l
logP
3.67
logS
-4.2
pKa (Strongest Basic)
3.73
PSA
56.85 Å2
Refractivity
93.45 m3·mol-1
Polarizability
38.35 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08724
ChemSpider
http://www.chemspider.com/Chemical-Structure.4451504.html
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