5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid

C18H15N3O4 — CID 142773973

IUPAC5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1onc(-c2ccncc2)c1C(=O)O
InChIInChI=1S/C18H15N3O4/c22-14(7-6-12-4-2-1-3-5-12)20-17-15(18(23)24)16(21-25-17)13-8-10-19-11-9-13/h1-5,8-11H,6-7H2,(H,20,22)(H,23,24)
InChIKeyXJIPITSDDDIEBP-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.01
Rot. Bonds6

About 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid

5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 142773973) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
PubChem CID142773973
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1onc(-c2ccncc2)c1C(=O)O
InChIInChI=1S/C18H15N3O4/c22-14(7-6-12-4-2-1-3-5-12)20-17-15(18(23)24)16(21-25-17)13-8-10-19-11-9-13/h1-5,8-11H,6-7H2,(H,20,22)(H,23,24)
InChIKeyXJIPITSDDDIEBP-UHFFFAOYSA-N
XLogP3.01
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-phenylpropanoylamino)-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773844
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 57417814
N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 69009789
N-[3-[5-(aminomethyl)-2-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174568894
N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174583821
N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 67198280
5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773841
N-[3-(4-fluorophenyl)-4-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544118
N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544107
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417789
3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide
CID 53181974

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid (CID 142773973) is 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid is O=C(CCc1ccccc1)Nc1onc(-c2ccncc2)c1C(=O)O.
What is the InChIKey of 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is XJIPITSDDDIEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-14(7-6-12-4-2-1-3-5-12)20-17-15(18(23)24)16(21-25-17)13-8-10-19-11-9-13/h1-5,8-11H,6-7H2,(H,20,22)(H,23,24).
What are the key properties of 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 337.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).