2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide

C21H21F3N6O2 — CID 118308342

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
SMILESCc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2ncc(C(F)(F)F)nc2C)n1
InChIInChI=1S/C21H21F3N6O2/c1-11-18(25-10-17(26-11)21(22,23)24)28-15-8-5-9-16(15)29-19(31)13-6-3-4-7-14(13)20-27-12(2)30-32-20/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3,(H,25,28)(H,29,31)/t15-,16-/m0/s1
InChIKeyMQFGLOKBLRCNJM-HOTGVXAUSA-N
MW446.43 g/mol
LogP3.93
Rot. Bonds5

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide (PubChem CID 118308342) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
PubChem CID118308342
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
SMILESCc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2ncc(C(F)(F)F)nc2C)n1
InChIInChI=1S/C21H21F3N6O2/c1-11-18(25-10-17(26-11)21(22,23)24)28-15-8-5-9-16(15)29-19(31)13-6-3-4-7-14(13)20-27-12(2)30-32-20/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3,(H,25,28)(H,29,31)/t15-,16-/m0/s1
InChIKeyMQFGLOKBLRCNJM-HOTGVXAUSA-N
XLogP3.93
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide 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-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
N-[(1S,2S)-2-Methyl-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-2-(pyrimidin-2-yl)benzamide
CID 118308140
N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 72700265
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide
CID 1950548
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyridinylmethyl)benzamide
CID 1960743
(4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)((2S*,3R*)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)amino)piperidin-1-yl)methanone
CID 90405033
[3-Fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90445431
(4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)((2S*,3R*)-2-methyl-3-((5-(trifluoromethyl)pyrimidin-2-yl)amino)piperidin-1-yl)methanone
CID 117631252
US9611277, Example 152
CID 117637593
2-(3-Methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-{[5-(trifluoromethyl)pyridin-2-yl]amino}cyclopentyl]benzamide
CID 118308053
N-[(1S,2S)-2-{[3-Fluoro-5-(trifluoromethyl)pyridin-2-yl]amino}cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 118308067
N-[(1S,2S)-2-{[3-Ethyl-5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 118308090

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide (CID 118308342) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide is Cc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2ncc(C(F)(F)F)nc2C)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
The InChIKey is MQFGLOKBLRCNJM-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-11-18(25-10-17(26-11)21(22,23)24)28-15-8-5-9-16(15)29-19(31)13-6-3-4-7-14(13)20-27-12(2)30-32-20/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3,(H,25,28)(H,29,31)/t15-,16-/m0/s1.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide has a molecular weight of 446.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 118308342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).