3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide

C13H14N2O4 — CID 22762095

IUPAC3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC(=O)c2ccco2)c1C(=O)NC
InChIInChI=1S/C13H14N2O4/c1-3-8-12(13(17)14-2)11(19-15-8)7-9(16)10-5-4-6-18-10/h4-6H,3,7H2,1-2H3,(H,14,17)
InChIKeyHTHVAUGJWYVXBZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.62
Rot. Bonds5

About 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide

3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide (PubChem CID 22762095) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide
PubChem CID22762095
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC(=O)c2ccco2)c1C(=O)NC
InChIInChI=1S/C13H14N2O4/c1-3-8-12(13(17)14-2)11(19-15-8)7-9(16)10-5-4-6-18-10/h4-6H,3,7H2,1-2H3,(H,14,17)
InChIKeyHTHVAUGJWYVXBZ-UHFFFAOYSA-N
XLogP1.62
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide (CID 22762095) is 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide is CCc1noc(CC(=O)c2ccco2)c1C(=O)NC.
What is the InChIKey of 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HTHVAUGJWYVXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-8-12(13(17)14-2)11(19-15-8)7-9(16)10-5-4-6-18-10/h4-6H,3,7H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-(furan-2-yl)-2-oxoethyl]-N-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 22762095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).