4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid

C14H16N2O5 — CID 62042847

IUPAC4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H16N2O5/c1-14(2,6-5-12(17)18)15-13(19)9-8-11(21-16-9)10-4-3-7-20-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMBVUPLFKEXATNU-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.31
Rot. Bonds6

About 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid

4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 62042847) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID62042847
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H16N2O5/c1-14(2,6-5-12(17)18)15-13(19)9-8-11(21-16-9)10-4-3-7-20-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyMBVUPLFKEXATNU-UHFFFAOYSA-N
XLogP2.31
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 79793569
N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119571702
5-(furan-2-yl)-N-(2-hydroxy-2-methylpentyl)-1,2-oxazole-3-carboxamide
CID 103712832
3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 61008615
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 47257374
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103843592
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (CID 62042847) is 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is MBVUPLFKEXATNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-14(2,6-5-12(17)18)15-13(19)9-8-11(21-16-9)10-4-3-7-20-10/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 292.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 62042847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).