N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C16H14N2O3 — CID 1093774

IUPACN-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccco3)no2)cc1
InChIInChI=1S/C16H14N2O3/c1-11-4-6-12(7-5-11)15-9-14(18-21-15)16(19)17-10-13-3-2-8-20-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyKEBNRBJQVWICNV-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.17
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093774) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093774
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccco3)no2)cc1
InChIInChI=1S/C16H14N2O3/c1-11-4-6-12(7-5-11)15-9-14(18-21-15)16(19)17-10-13-3-2-8-20-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyKEBNRBJQVWICNV-UHFFFAOYSA-N
XLogP3.17
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 1093774) is N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccco3)no2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KEBNRBJQVWICNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-4-6-12(7-5-11)15-9-14(18-21-15)16(19)17-10-13-3-2-8-20-13/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).