5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid

C20H18N2O4 — CID 70167544

IUPAC5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCCCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1
InChIInChI=1S/C20H18N2O4/c1-2-6-16(23)21-15-11-9-13(10-12-15)18-17(20(24)25)22-19(26-18)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3,(H,21,23)(H,24,25)
InChIKeyVPGRJJWIAPSPQA-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.45
Rot. Bonds6

About 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid

5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 70167544) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID70167544
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCCCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1
InChIInChI=1S/C20H18N2O4/c1-2-6-16(23)21-15-11-9-13(10-12-15)18-17(20(24)25)22-19(26-18)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3,(H,21,23)(H,24,25)
InChIKeyVPGRJJWIAPSPQA-UHFFFAOYSA-N
XLogP4.45
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid
CID 70166519
5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168642
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
CID 142162557
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 70166545
N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 53382909
5-(4-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876
N-[3-(4-bromoanilino)-3-oxopropyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 55951068

Frequently Asked Questions

What is the IUPAC name of 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid (CID 70167544) is 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid is CCCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1.
What is the InChIKey of 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is VPGRJJWIAPSPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-6-16(23)21-15-11-9-13(10-12-15)18-17(20(24)25)22-19(26-18)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70167544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).