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

C16H14N2O4 — CID 3238493

IUPAC5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C16H14N2O4/c1-20-12-6-4-11(5-7-12)10-17-16(19)13-9-15(22-18-13)14-3-2-8-21-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyYJRGRHOSDDWFQL-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.87
Rot. Bonds5

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

5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 3238493) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID3238493
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C16H14N2O4/c1-20-12-6-4-11(5-7-12)10-17-16(19)13-9-15(22-18-13)14-3-2-8-21-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyYJRGRHOSDDWFQL-UHFFFAOYSA-N
XLogP2.87
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 3238493) is 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3ccco3)on2)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YJRGRHOSDDWFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-20-12-6-4-11(5-7-12)10-17-16(19)13-9-15(22-18-13)14-3-2-8-21-14/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).