5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C12H14N2O3 — CID 3236696

IUPAC5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C12H14N2O3/c1-8(2)7-13-12(15)9-6-11(17-14-9)10-4-3-5-16-10/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyVGKPVTITUAIXCA-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.32
Rot. Bonds4

About 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 3236696) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID3236696
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C12H14N2O3/c1-8(2)7-13-12(15)9-6-11(17-14-9)10-4-3-5-16-10/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyVGKPVTITUAIXCA-UHFFFAOYSA-N
XLogP2.32
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 3236696) is 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VGKPVTITUAIXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(2)7-13-12(15)9-6-11(17-14-9)10-4-3-5-16-10/h3-6,8H,7H2,1-2H3,(H,13,15).
What are the key properties of 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).