trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

C23H21F3N2O3 — CID 45486759

IUPACtrans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1c1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)31-17-11-9-15(10-12-17)13-27-21(29)18-7-4-8-19(18)22-28-14-20(30-22)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18-19H,4,7-8,13H2,(H,27,29)/t18-,19-/m1/s1
InChIKeyZZEZNANAARNMOE-RTBURBONSA-N
MW430.43 g/mol
LogP5.44
Rot. Bonds6

About trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 45486759) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID45486759
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Nametrans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1c1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)31-17-11-9-15(10-12-17)13-27-21(29)18-7-4-8-19(18)22-28-14-20(30-22)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18-19H,4,7-8,13H2,(H,27,29)/t18-,19-/m1/s1
InChIKeyZZEZNANAARNMOE-RTBURBONSA-N
XLogP5.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-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

trans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 45486779
1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111599149
(2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142836969
trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 11758140
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
trans-(1S,2S)-1-N-methyl-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 11467411
(2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142836950
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
1-methyl-N-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 144650708
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
2-phenyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 126817370
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 45486759) is trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1c1ncc(-c2ccccc2)o1.
What is the InChIKey of trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is ZZEZNANAARNMOE-RTBURBONSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c24-23(25,26)31-17-11-9-15(10-12-17)13-27-21(29)18-7-4-8-19(18)22-28-14-20(30-22)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18-19H,4,7-8,13H2,(H,27,29)/t18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 45486759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).