3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid

C15H16N2O4 — CID 62965913

IUPAC3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C15H16N2O4/c1-10(6-15(19)20)5-14(18)17-12-4-2-3-11(7-12)13-8-16-9-21-13/h2-4,7-10H,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyMXRHBDVCWGDLQG-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.78
Rot. Bonds6

About 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid

3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid (PubChem CID 62965913) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
PubChem CID62965913
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C15H16N2O4/c1-10(6-15(19)20)5-14(18)17-12-4-2-3-11(7-12)13-8-16-9-21-13/h2-4,7-10H,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyMXRHBDVCWGDLQG-UHFFFAOYSA-N
XLogP2.78
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
5-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 82851895
3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 167813025
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352
2-(methylamino)-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylpropanamide
CID 123157870
(2S)-N-tert-butyl-2-[[3-(1,3-oxazol-5-yl)phenyl]carbamoylamino]propanamide
CID 95338904
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
5-(3-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 62965895
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid (CID 62965913) is 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid?
The InChIKey is MXRHBDVCWGDLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(6-15(19)20)5-14(18)17-12-4-2-3-11(7-12)13-8-16-9-21-13/h2-4,7-10H,5-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid?
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 62965913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).