N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide

C20H19F3N4O2 — CID 68616467

IUPACN-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)c1ccon1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)14-3-1-2-13(10-14)17-11-24-18(26-17)12-4-6-15(7-5-12)25-19(28)16-8-9-29-27-16/h1-3,8-12,15H,4-7H2,(H,24,26)(H,25,28)
InChIKeySMFOKUWSWBHMFT-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.54
Rot. Bonds4

About N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide

N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 68616467) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID68616467
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)c1ccon1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)14-3-1-2-13(10-14)17-11-24-18(26-17)12-4-6-15(7-5-12)25-19(28)16-8-9-29-27-16/h1-3,8-12,15H,4-7H2,(H,24,26)(H,25,28)
InChIKeySMFOKUWSWBHMFT-UHFFFAOYSA-N
XLogP4.54
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide 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 N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide (CID 68616467) is N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)c1ccon1.
What is the InChIKey of N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SMFOKUWSWBHMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)14-3-1-2-13(10-14)17-11-24-18(26-17)12-4-6-15(7-5-12)25-19(28)16-8-9-29-27-16/h1-3,8-12,15H,4-7H2,(H,24,26)(H,25,28).
What are the key properties of N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide?
N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 68616467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).