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

C20H19N3O2 — CID 44580359

IUPACN-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)no1
InChIInChI=1S/C20H19N3O2/c1-12-3-4-16(20(24)22-17-9-10-17)11-18(12)14-5-7-15(8-6-14)19-21-13(2)25-23-19/h3-8,11,17H,9-10H2,1-2H3,(H,22,24)
InChIKeyAYDNMGOXGPHORB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.91
Rot. Bonds4

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

N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 44580359) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID44580359
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)no1
InChIInChI=1S/C20H19N3O2/c1-12-3-4-16(20(24)22-17-9-10-17)11-18(12)14-5-7-15(8-6-14)19-21-13(2)25-23-19/h3-8,11,17H,9-10H2,1-2H3,(H,22,24)
InChIKeyAYDNMGOXGPHORB-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide 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-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 44580359) is N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1nc(-c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)no1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is AYDNMGOXGPHORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-3-4-16(20(24)22-17-9-10-17)11-18(12)14-5-7-15(8-6-14)19-21-13(2)25-23-19/h3-8,11,17H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 44580359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).