5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide

C22H19FN4O3 — CID 51588087

IUPAC5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc([C@H](NC(=O)c2cc(-c3ccc(F)cc3)on2)c2nccn2C)c1
InChIInChI=1S/C22H19FN4O3/c1-27-11-10-24-21(27)20(15-4-3-5-17(12-15)29-2)25-22(28)18-13-19(30-26-18)14-6-8-16(23)9-7-14/h3-13,20H,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyBNYBHALVGPPKPZ-FQEVSTJZSA-N
MW406.42 g/mol
LogP3.74
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 51588087) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID51588087
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc([C@H](NC(=O)c2cc(-c3ccc(F)cc3)on2)c2nccn2C)c1
InChIInChI=1S/C22H19FN4O3/c1-27-11-10-24-21(27)20(15-4-3-5-17(12-15)29-2)25-22(28)18-13-19(30-26-18)14-6-8-16(23)9-7-14/h3-13,20H,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyBNYBHALVGPPKPZ-FQEVSTJZSA-N
XLogP3.74
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
N-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3245017
N-(3-imidazolylpropyl)[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9550543
5-(3-Hydroxyphenyl)-N-(3-(1H-imidazol-1-yl)propyl)-3-isoxazolecarboxamide
CID 16195528
N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 2971764
5-(2,5-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]isoxazole-3-carboxamide
CID 3236500
N-[3-(1-imidazolyl)propyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3238932
[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]-N-(3-imidazolylpropyl)carboxamide
CID 9550539
3-(1H-imidazol-1-yl)-N-(4-(4-(5-methoxybenzo[d]isoxazol-3-yl)piperazin-1-yl)butyl)benzamide
CID 11518499
1-({5-[(2,6-dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 24790311
N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-isoxazolecarboxamide
CID 24792979
N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 24794145

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 51588087) is 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is COc1cccc([C@H](NC(=O)c2cc(-c3ccc(F)cc3)on2)c2nccn2C)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BNYBHALVGPPKPZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-27-11-10-24-21(27)20(15-4-3-5-17(12-15)29-2)25-22(28)18-13-19(30-26-18)14-6-8-16(23)9-7-14/h3-13,20H,1-2H3,(H,25,28)/t20-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51588087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).