N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C22H21F3N4O2 — CID 164881614

IUPACN-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCc1ccc(CN2CCC(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)C2)cc1
InChIInChI=1S/C22H21F3N4O2/c1-14-2-4-15(5-3-14)12-29-11-10-18(13-29)26-20(30)17-8-6-16(7-9-17)19-27-21(31-28-19)22(23,24)25/h2-9,18H,10-13H2,1H3,(H,26,30)
InChIKeyMMLJKCUFKFAPRO-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.07
Rot. Bonds5

About N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 164881614) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID164881614
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCc1ccc(CN2CCC(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)C2)cc1
InChIInChI=1S/C22H21F3N4O2/c1-14-2-4-15(5-3-14)12-29-11-10-18(13-29)26-20(30)17-8-6-16(7-9-17)19-27-21(31-28-19)22(23,24)25/h2-9,18H,10-13H2,1H3,(H,26,30)
InChIKeyMMLJKCUFKFAPRO-UHFFFAOYSA-N
XLogP4.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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

N-(1-benzylpiperidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881543
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489850
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99815479
cis-(1R,3S)-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677738
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 90164466
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71557005
4-[5-[bromo(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(1-ethylpyrrolidin-3-yl)-2-fluorobenzamide
CID 164881545
N-(1-ethyl-3-oxopyrazolidin-4-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 129270682

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 164881614) is N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is Cc1ccc(CN2CCC(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)C2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is MMLJKCUFKFAPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-14-2-4-15(5-3-14)12-29-11-10-18(13-29)26-20(30)17-8-6-16(7-9-17)19-27-21(31-28-19)22(23,24)25/h2-9,18H,10-13H2,1H3,(H,26,30).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 430.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 164881614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).