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

C12H12N2O6 — CID 61242942

IUPAC2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(-c2ccco2)on1
InChIInChI=1S/C12H12N2O6/c15-4-3-7(12(17)18)13-11(16)8-6-10(20-14-8)9-2-1-5-19-9/h1-2,5-7,15H,3-4H2,(H,13,16)(H,17,18)
InChIKeyLEGSAJKZUDRCFY-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.50
Rot. Bonds6

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

2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid (PubChem CID 61242942) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid
PubChem CID61242942
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1cc(-c2ccco2)on1
InChIInChI=1S/C12H12N2O6/c15-4-3-7(12(17)18)13-11(16)8-6-10(20-14-8)9-2-1-5-19-9/h1-2,5-7,15H,3-4H2,(H,13,16)(H,17,18)
InChIKeyLEGSAJKZUDRCFY-UHFFFAOYSA-N
XLogP0.50
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
(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
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
5-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)-1,2-oxazole-3-carboxamide
CID 61245918
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 42822036
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103843592
N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103770495
N-[5-(diethylamino)pentan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 46092683
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 79793569

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid (CID 61242942) is 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid is O=C(NC(CCO)C(=O)O)c1cc(-c2ccco2)on1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid?
The InChIKey is LEGSAJKZUDRCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6/c15-4-3-7(12(17)18)13-11(16)8-6-10(20-14-8)9-2-1-5-19-9/h1-2,5-7,15H,3-4H2,(H,13,16)(H,17,18).
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid?
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid has a molecular weight of 280.24 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61242942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).