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

C14H16N2O5 — CID 43353357

IUPAC2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(-c2ccco2)on1)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-8(2)6-10(14(18)19)15-13(17)9-7-12(21-16-9)11-4-3-5-20-11/h3-5,7-8,10H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKLQIHIUOXCLFDM-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.16
Rot. Bonds6

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

2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 43353357) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID43353357
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(-c2ccco2)on1)C(=O)O
InChIInChI=1S/C14H16N2O5/c1-8(2)6-10(14(18)19)15-13(17)9-7-12(21-16-9)11-4-3-5-20-11/h3-5,7-8,10H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKLQIHIUOXCLFDM-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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]-4-hydroxybutanoic acid
CID 61242942
5-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)-1,2-oxazole-3-carboxamide
CID 61245918
(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]-3-methylpentanoic acid
CID 43356526
(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 119364265
(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364201
N-[5-(diethylamino)pentan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 46092683
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 42822036
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 79793569
N-[1-(3-bromophenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55599574
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
N-[1-(2,4-dichlorophenyl)propan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 60618944

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (CID 43353357) is 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1cc(-c2ccco2)on1)C(=O)O.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is KLQIHIUOXCLFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8(2)6-10(14(18)19)15-13(17)9-7-12(21-16-9)11-4-3-5-20-11/h3-5,7-8,10H,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 292.29 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 43353357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).