COC(=O)C1=CN=C(C=C1)OCC2=CON=C2C3=CC=C(C=C3)Cl
CAS: 1159603-80-1
الاسم: methyl 6-[[3-(4-chlorophenyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILES: COC(=O)C1=CN=C(C=C1)OCC2=CON=C2C3=CC=C(C=C3)Cl

Molecular Processing

Molecular formula
C17H13ClN2O4
Molecular weight
344.75
Exact mass
344.0564
XLogP
3.76
TPSA
74.45
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
86.86

Supplementary Information

InChIKey: HQVAXMMCKOSGAW-UHFFFAOYSA-N
مرادفات
SCHEMBL2924220HQVAXMMCKOSGAW-UHFFFAOYSA-NDTXSID1011471356-[3-(4-chloro-phenyl)-isoxazol-4-ylmethoxy]-nicotinic acid methyl esterMethyl 6-[[3-(4-chlorophenyl)-4-isoxazolyl]methoxy]-3-pyridinecarboxylateMethyl 6-{[3-(4-chlorophenyl)-1,2-oxazol-4-yl]methoxy}pyridine-3-carboxylate1159603-80-1
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