CC1=C(C(=NO1)C2=CC=CC=N2)COC3=NC=C(C=C3)C(=O)OC
CAS: 1159602-76-2
이름: methyl 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
SMILES: CC1=C(C(=NO1)C2=CC=CC=N2)COC3=NC=C(C=C3)C(=O)OC

Molecular Processing

Molecular formula
C17H15N3O4
Molecular weight
325.32
Exact mass
325.1063
XLogP
2.81
TPSA
87.34
H-bond donors
0
H-bond acceptors
7
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
0.176
Molar refractivity
84.38

Supplementary Information

InChIKey: BXGSBHHIBBVDRP-UHFFFAOYSA-N
동의어
SCHEMBL2928878CHEMBL3681568BXGSBHHIBBVDRP-UHFFFAOYSA-NBDBM133579DB-399066US8846719, 2716-(5-methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinic acid methyl ester6-[[5-Methyl-3-(pyridin-2-yl)isoxazol-4-yl]methoxy]nicotinic acid methyl ester1159602-76-2
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