3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

C17H21F3N4O2 — CID 47066555

IUPAC3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCc1noc(CNc2cc(C(=O)NCC(F)(F)F)ccc2C)n1
InChIInChI=1S/C17H21F3N4O2/c1-3-4-5-14-23-15(26-24-14)9-21-13-8-12(7-6-11(13)2)16(25)22-10-17(18,19)20/h6-8,21H,3-5,9-10H2,1-2H3,(H,22,25)
InChIKeyWKCLWKUDSIRYHH-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.62
Rot. Bonds8

About 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 47066555) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID47066555
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCc1noc(CNc2cc(C(=O)NCC(F)(F)F)ccc2C)n1
InChIInChI=1S/C17H21F3N4O2/c1-3-4-5-14-23-15(26-24-14)9-21-13-8-12(7-6-11(13)2)16(25)22-10-17(18,19)20/h6-8,21H,3-5,9-10H2,1-2H3,(H,22,25)
InChIKeyWKCLWKUDSIRYHH-UHFFFAOYSA-N
XLogP3.62
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)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 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 47066555) is 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCCCc1noc(CNc2cc(C(=O)NCC(F)(F)F)ccc2C)n1.
What is the InChIKey of 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WKCLWKUDSIRYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-3-4-5-14-23-15(26-24-14)9-21-13-8-12(7-6-11(13)2)16(25)22-10-17(18,19)20/h6-8,21H,3-5,9-10H2,1-2H3,(H,22,25).
What are the key properties of 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 370.38 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 47066555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).