2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide

C19H15N3O3 — CID 46964324

IUPAC2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3noc(-c4ccccc4)n3)ccc2o1
InChIInChI=1S/C19H15N3O3/c1-12-9-15-10-14(7-8-16(15)24-12)18(23)20-11-17-21-19(25-22-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyCEYFDIKAOGIRKM-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.72
Rot. Bonds4

About 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide

2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide (PubChem CID 46964324) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
PubChem CID46964324
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)NCc3noc(-c4ccccc4)n3)ccc2o1
InChIInChI=1S/C19H15N3O3/c1-12-9-15-10-14(7-8-16(15)24-12)18(23)20-11-17-21-19(25-22-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyCEYFDIKAOGIRKM-UHFFFAOYSA-N
XLogP3.72
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide
CID 72871755
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755693
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
4-ethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53003527
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
CID 72924667
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
2-bromo-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3903910

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide (CID 46964324) is 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)NCc3noc(-c4ccccc4)n3)ccc2o1.
What is the InChIKey of 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide?
The InChIKey is CEYFDIKAOGIRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-9-15-10-14(7-8-16(15)24-12)18(23)20-11-17-21-19(25-22-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide?
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 46964324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).