5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Thuốc Gốc
Small Molecule
CTHH: C18H21ClN2O3
PTK: 348.824
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
348.824
Monoisotopic mass
348.124070255
InChI
InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3
InChI Key
InChIKey=FCSKOFQQCWLGMV-UHFFFAOYSA-N
IUPAC Name
5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole
Traditional IUPAC Name
5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole
SMILES
CC1=NOC(CCCCCOC2=CC=C(C=C2Cl)C2=NCCO2)=C1
Độ hòa tan
1.72e-02 g/l
logP
3.86
logS
-4.3
pKa (Strongest Basic)
3.29
PSA
56.85 Å2
Refractivity
93.84 m3·mol-1
Polarizability
38.42 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
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