5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid

C17H13N3O5 — CID 142773953

IUPAC5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2onc(-c3ccncc3)c2C(=O)O)cc1
InChIInChI=1S/C17H13N3O5/c1-24-12-4-2-11(3-5-12)15(21)19-16-13(17(22)23)14(20-25-16)10-6-8-18-9-7-10/h2-9H,1H3,(H,19,21)(H,22,23)
InChIKeyWKFSGZPBIUNPIZ-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.70
Rot. Bonds5

About 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid

5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 142773953) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
PubChem CID142773953
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2onc(-c3ccncc3)c2C(=O)O)cc1
InChIInChI=1S/C17H13N3O5/c1-24-12-4-2-11(3-5-12)15(21)19-16-13(17(22)23)14(20-25-16)10-6-8-18-9-7-10/h2-9H,1H3,(H,19,21)(H,22,23)
InChIKeyWKFSGZPBIUNPIZ-UHFFFAOYSA-N
XLogP2.70
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773841
5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142774008
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
4-methoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402060
5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773973
5-[(4-fluorobenzoyl)amino]-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773903
[2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid
CID 69100917
5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 91198346
3-(4-methoxyphenyl)-5-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368239
N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 23144498
1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3608503
5-(1-acetamidoethyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163062920

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid (CID 142773953) is 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid is COc1ccc(C(=O)Nc2onc(-c3ccncc3)c2C(=O)O)cc1.
What is the InChIKey of 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is WKFSGZPBIUNPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-24-12-4-2-11(3-5-12)15(21)19-16-13(17(22)23)14(20-25-16)10-6-8-18-9-7-10/h2-9H,1H3,(H,19,21)(H,22,23).
What are the key properties of 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 339.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).