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

C13H14N2O5 — CID 79793569

IUPAC2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(-c2ccco2)on1)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-3-13(2,12(17)18)14-11(16)8-7-10(20-15-8)9-5-4-6-19-9/h4-7H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLVVDCGHCTOWCMS-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.92
Rot. Bonds5

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

2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid (PubChem CID 79793569) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
PubChem CID79793569
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(-c2ccco2)on1)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-3-13(2,12(17)18)14-11(16)8-7-10(20-15-8)9-5-4-6-19-9/h4-7H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLVVDCGHCTOWCMS-UHFFFAOYSA-N
XLogP1.92
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119571702
4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 62042847
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 119198963
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 103843592
5-(furan-2-yl)-N-(2-hydroxy-2-methylpentyl)-1,2-oxazole-3-carboxamide
CID 103712832
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 43356526
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
5-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)-1,2-oxazole-3-carboxamide
CID 61245918
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid (CID 79793569) is 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cc(-c2ccco2)on1)C(=O)O.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid?
The InChIKey is LVVDCGHCTOWCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-3-13(2,12(17)18)14-11(16)8-7-10(20-15-8)9-5-4-6-19-9/h4-7H,3H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid?
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid has a molecular weight of 278.26 g/mol, XLogP of 1.92, 5 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]-2-methylbutanoic acid is sourced from PubChem (CID 79793569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).