N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide

C25H27F3N2O2 — CID 46137765

IUPACN-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide
SMILESCc1ccc(C2=NOC(CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C25H27F3N2O2/c1-17-9-11-19(12-10-17)23-14-22(32-29-23)16-30(24(31)20-6-2-3-7-20)15-18-5-4-8-21(13-18)25(26,27)28/h4-5,8-13,20,22H,2-3,6-7,14-16H2,1H3
InChIKeyMEJNEQRCKRQHLN-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.73
Rot. Bonds6

About N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide

N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide (PubChem CID 46137765) has the molecular formula C25H27F3N2O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide
PubChem CID46137765
Molecular FormulaC25H27F3N2O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide
SMILESCc1ccc(C2=NOC(CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C25H27F3N2O2/c1-17-9-11-19(12-10-17)23-14-22(32-29-23)16-30(24(31)20-6-2-3-7-20)15-18-5-4-8-21(13-18)25(26,27)28/h4-5,8-13,20,22H,2-3,6-7,14-16H2,1H3
InChIKeyMEJNEQRCKRQHLN-UHFFFAOYSA-N
XLogP5.73
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide 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-[(4-methylphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681935
3-[4-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydroisoxazole-5-carboxamide
CID 16681990
3-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(4-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681992
3-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681993
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640771
3-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681867
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681853
3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681854
3-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681855
3-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681931
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640775
3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640776

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide (CID 46137765) is N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide is Cc1ccc(C2=NOC(CN(Cc3cccc(C(F)(F)F)c3)C(=O)C3CCCC3)C2)cc1.
What is the InChIKey of N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide?
The InChIKey is MEJNEQRCKRQHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O2/c1-17-9-11-19(12-10-17)23-14-22(32-29-23)16-30(24(31)20-6-2-3-7-20)15-18-5-4-8-21(13-18)25(26,27)28/h4-5,8-13,20,22H,2-3,6-7,14-16H2,1H3.
What are the key properties of N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide?
N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide has a molecular weight of 444.50 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46137765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).