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

C14H14N2O4 — CID 60934205

IUPAC5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C14H14N2O4/c17-13(5-2-6-14(18)19)16-11-4-1-3-10(7-11)12-8-15-9-20-12/h1,3-4,7-9H,2,5-6H2,(H,16,17)(H,18,19)
InChIKeyWJXYTYDWNCVWLO-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.54
Rot. Bonds6

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

5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid (PubChem CID 60934205) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
PubChem CID60934205
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C14H14N2O4/c17-13(5-2-6-14(18)19)16-11-4-1-3-10(7-11)12-8-15-9-20-12/h1,3-4,7-9H,2,5-6H2,(H,16,17)(H,18,19)
InChIKeyWJXYTYDWNCVWLO-UHFFFAOYSA-N
XLogP2.54
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 82851895
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94796874
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 55833342
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
CID 126786580
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
2-(ethylamino)-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62835671

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid (CID 60934205) is 5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid?
The InChIKey is WJXYTYDWNCVWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13(5-2-6-14(18)19)16-11-4-1-3-10(7-11)12-8-15-9-20-12/h1,3-4,7-9H,2,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid?
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 60934205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).