N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide

C21H18N2O3 — CID 142162557

IUPACN-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
SMILESCC(=O)c1nc(-c2ccccc2)oc1-c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H18N2O3/c1-13(24)18-19(26-21(23-18)16-5-3-2-4-6-16)14-9-11-17(12-10-14)22-20(25)15-7-8-15/h2-6,9-12,15H,7-8H2,1H3,(H,22,25)
InChIKeyWKXJPSSSDBJTBF-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.56
Rot. Bonds5

About N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide

N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide (PubChem CID 142162557) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
PubChem CID142162557
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
SMILESCC(=O)c1nc(-c2ccccc2)oc1-c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H18N2O3/c1-13(24)18-19(26-21(23-18)16-5-3-2-4-6-16)14-9-11-17(12-10-14)22-20(25)15-7-8-15/h2-6,9-12,15H,7-8H2,1H3,(H,22,25)
InChIKeyWKXJPSSSDBJTBF-UHFFFAOYSA-N
XLogP4.56
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide 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

5-[4-(cyclopropanecarbonylamino)phenyl]-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 70166718
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 70166545
5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70167544
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
5-(4-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876
5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70164829
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 142162588
5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 158019660

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide (CID 142162557) is N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide is CC(=O)c1nc(-c2ccccc2)oc1-c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is WKXJPSSSDBJTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-13(24)18-19(26-21(23-18)16-5-3-2-4-6-16)14-9-11-17(12-10-14)22-20(25)15-7-8-15/h2-6,9-12,15H,7-8H2,1H3,(H,22,25).
What are the key properties of N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide?
N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 346.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 142162557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).