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

C12H12N2O5 — CID 47257374

IUPACethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C12H12N2O5/c1-2-17-11(15)7-13-12(16)8-6-10(19-14-8)9-4-3-5-18-9/h3-6H,2,7H2,1H3,(H,13,16)
InChIKeyYNEFRVQFOVUDBT-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.23
Rot. Bonds5

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

ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate (PubChem CID 47257374) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
PubChem CID47257374
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Nameethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C12H12N2O5/c1-2-17-11(15)7-13-12(16)8-6-10(19-14-8)9-4-3-5-18-9/h3-6H,2,7H2,1H3,(H,13,16)
InChIKeyYNEFRVQFOVUDBT-UHFFFAOYSA-N
XLogP1.23
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate
CID 110305616
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
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
ethyl 2-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 61011978
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119571702
N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 90599903
ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 17024990
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 79793569
5-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 54897309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate (CID 47257374) is ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate?
The InChIKey is YNEFRVQFOVUDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-2-17-11(15)7-13-12(16)8-6-10(19-14-8)9-4-3-5-18-9/h3-6H,2,7H2,1H3,(H,13,16).
What are the key properties of ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate?
ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate has a molecular weight of 264.24 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate is sourced from PubChem (CID 47257374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).