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

C17H17N3O3 — CID 6472751

IUPACN-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-3-20(17(21)14-5-4-10-22-14)11-15-18-16(19-23-15)13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3
InChIKeyBFTGXLGIXMOXCZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.30
Rot. Bonds5

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

N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 6472751) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID6472751
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-3-20(17(21)14-5-4-10-22-14)11-15-18-16(19-23-15)13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3
InChIKeyBFTGXLGIXMOXCZ-UHFFFAOYSA-N
XLogP3.30
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 6472751) is N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccco1.
What is the InChIKey of N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is BFTGXLGIXMOXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-20(17(21)14-5-4-10-22-14)11-15-18-16(19-23-15)13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 6472751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).