3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C13H12N2O5 — CID 107369452

IUPAC3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N(Cc2ccco2)C2CC2)no1
InChIInChI=1S/C13H12N2O5/c16-12(10-6-11(13(17)18)20-14-10)15(8-3-4-8)7-9-2-1-5-19-9/h1-2,5-6,8H,3-4,7H2,(H,17,18)
InChIKeyLRVSGSHXTZNJQU-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.77
Rot. Bonds5

About 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369452) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369452
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N(Cc2ccco2)C2CC2)no1
InChIInChI=1S/C13H12N2O5/c16-12(10-6-11(13(17)18)20-14-10)15(8-3-4-8)7-9-2-1-5-19-9/h1-2,5-6,8H,3-4,7H2,(H,17,18)
InChIKeyLRVSGSHXTZNJQU-UHFFFAOYSA-N
XLogP1.77
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
5-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 81317098
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
N-cyclopropyl-N-(furan-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905612
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216
3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369445
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 78991820
N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78883208
4-(dimethylamino)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 86804672

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369452) is 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C(=O)N(Cc2ccco2)C2CC2)no1.
What is the InChIKey of 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is LRVSGSHXTZNJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c16-12(10-6-11(13(17)18)20-14-10)15(8-3-4-8)7-9-2-1-5-19-9/h1-2,5-6,8H,3-4,7H2,(H,17,18).
What are the key properties of 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).