4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid

C13H12N2O4 — CID 54866818

IUPAC4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H12N2O4/c16-12(5-6-13(17)18)15-10-3-1-9(2-4-10)11-7-14-8-19-11/h1-4,7-8H,5-6H2,(H,15,16)(H,17,18)
InChIKeyFDBCKTUGDNLLKY-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.14
Rot. Bonds5

About 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid

4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid (PubChem CID 54866818) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
PubChem CID54866818
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H12N2O4/c16-12(5-6-13(17)18)15-10-3-1-9(2-4-10)11-7-14-8-19-11/h1-4,7-8H,5-6H2,(H,15,16)(H,17,18)
InChIKeyFDBCKTUGDNLLKY-UHFFFAOYSA-N
XLogP2.14
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
6-amino-N-[4-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60927435
3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046910
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
4-[4-[4-(3-carboxypropanoylamino)phenyl]anilino]-4-oxobutanoic acid
CID 18877617
2-(tert-butylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78923690
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
N-[4-(1,3-oxazol-5-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79286058
2-(cyclopropylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 54862582
3-hydroxy-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenylbutanamide
CID 90178107
2-(2-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008248
2-(1-aminocyclopentyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 64684075

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid (CID 54866818) is 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid?
The InChIKey is FDBCKTUGDNLLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-12(5-6-13(17)18)15-10-3-1-9(2-4-10)11-7-14-8-19-11/h1-4,7-8H,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid?
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid has a molecular weight of 260.25 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid is sourced from PubChem (CID 54866818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).