Tìm theo
5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole
Thuốc Gốc
Small Molecule
CTHH: C18H22N2O3
PTK: 314.3789
5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. This drug is known to target genome polyprotein.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H22N2O3
Phân tử khối
314.3789
Monoisotopic mass
314.16304258
InChI
InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3
InChI Key
InChIKey=IWZDYGHUSXWPPM-UHFFFAOYSA-N
IUPAC Name
5-{5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole
Traditional IUPAC Name
5-{5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole
SMILES
CC1=NOC(CCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1
Độ hòa tan
2.73e-02 g/l
logP
3.26
logS
-4.1
pKa (Strongest Basic)
3.99
PSA
56.85 Å2
Refractivity
89.04 m3·mol-1
Polarizability
36.29 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/DB08720
ChemSpider
http://www.chemspider.com/Chemical-Structure.1720.html
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