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

C14H14N2O5 — CID 119202136

IUPAC2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(-c2ccco2)on1)C1CC1
InChIInChI=1S/C14H14N2O5/c1-8(14(18)19)16(9-4-5-9)13(17)10-7-12(21-15-10)11-3-2-6-20-11/h2-3,6-9H,4-5H2,1H3,(H,18,19)
InChIKeyYSABLTBBBUTQPM-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.01
Rot. Bonds5

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

2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (PubChem CID 119202136) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
PubChem CID119202136
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(-c2ccco2)on1)C1CC1
InChIInChI=1S/C14H14N2O5/c1-8(14(18)19)16(9-4-5-9)13(17)10-7-12(21-15-10)11-3-2-6-20-11/h2-3,6-9H,4-5H2,1H3,(H,18,19)
InChIKeyYSABLTBBBUTQPM-UHFFFAOYSA-N
XLogP2.01
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 120519348
N-cyclohexyl-5-(furan-2-yl)-N-(3-propan-2-ylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 70702275
N-cyclopropyl-5-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 94026173
N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119584815
N-benzyl-N-butan-2-yl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55520934
N-(3,4-dimethylcyclohexyl)-N-(4,4-dimethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 71305023
(2S)-2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 61136607
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
5-(furan-2-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796090
5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054
3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 61008615
2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119203427

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (CID 119202136) is 2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)c1cc(-c2ccco2)on1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The InChIKey is YSABLTBBBUTQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8(14(18)19)16(9-4-5-9)13(17)10-7-12(21-15-10)11-3-2-6-20-11/h2-3,6-9H,4-5H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid has a molecular weight of 290.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119202136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).