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

C13H14N2O5 — CID 61008615

IUPAC3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H14N2O5/c1-2-15(6-5-12(16)17)13(18)9-8-11(20-14-9)10-4-3-7-19-10/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyKTORURQWXCLRPA-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.87
Rot. Bonds6

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

3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (PubChem CID 61008615) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
PubChem CID61008615
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C13H14N2O5/c1-2-15(6-5-12(16)17)13(18)9-8-11(20-14-9)10-4-3-7-19-10/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyKTORURQWXCLRPA-UHFFFAOYSA-N
XLogP1.87
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 61011978
3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid
CID 119190915
N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24667471
4-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 62042847
3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 61007308
5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
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
5-(furan-2-yl)-N-[2-(N-methylanilino)ethyl]-1,2-oxazole-3-carboxamide
CID 24668034
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid (CID 61008615) is 3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of 3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
The InChIKey is KTORURQWXCLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-2-15(6-5-12(16)17)13(18)9-8-11(20-14-9)10-4-3-7-19-10/h3-4,7-8H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid?
3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid has a molecular weight of 278.26 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61008615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).