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

C13H12N2O6 — CID 64888025

IUPAC3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H12N2O6/c16-11(14-13(12(17)18)3-5-19-7-13)8-6-10(21-15-8)9-2-1-4-20-9/h1-2,4,6H,3,5,7H2,(H,14,16)(H,17,18)
InChIKeyOTIKATIETNEJAP-UHFFFAOYSA-N
MW292.25 g/mol
LogP0.91
Rot. Bonds4

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

3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 64888025) has the molecular formula C13H12N2O6 and a molecular weight of 292.25 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID64888025
Molecular FormulaC13H12N2O6
Molecular Weight292.25 g/mol
Exact Mass292.07
IUPAC Name3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H12N2O6/c16-11(14-13(12(17)18)3-5-19-7-13)8-6-10(21-15-8)9-2-1-4-20-9/h1-2,4,6H,3,5,7H2,(H,14,16)(H,17,18)
InChIKeyOTIKATIETNEJAP-UHFFFAOYSA-N
XLogP0.91
TPSA114.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 103849044
N-[1-(4-bromophenyl)cyclopropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 75493636
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889001
5-(furan-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1,2-oxazole-3-carboxamide
CID 51076156
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
CID 64890738
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157567
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
5-(furan-2-yl)-N-(3-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 110618704
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid (CID 64888025) is 3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1cc(-c2ccco2)on1.
What is the InChIKey of 3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is OTIKATIETNEJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6/c16-11(14-13(12(17)18)3-5-19-7-13)8-6-10(21-15-8)9-2-1-4-20-9/h1-2,4,6H,3,5,7H2,(H,14,16)(H,17,18).
What are the key properties of 3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid?
3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 292.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).