N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide

C38H34F3N3O3 — CID 58428527

IUPACN-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide
SMILESCc1ccccc1NC(=O)Cc1ccc(-c2ccc(CC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C38H34F3N3O3/c1-25-7-5-6-10-32(25)42-34(46)24-27-13-17-30(18-14-27)29-15-11-26(12-16-29)23-33(45)35-36(38(39,40)41)43-37(47-35)44-21-19-31(20-22-44)28-8-3-2-4-9-28/h2-18,31H,19-24H2,1H3,(H,42,46)
InChIKeyPRVWJECUQJEMGE-UHFFFAOYSA-N
MW637.70 g/mol
LogP8.66
Rot. Bonds9

About N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide

N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide (PubChem CID 58428527) has the molecular formula C38H34F3N3O3 and a molecular weight of 637.70 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide
PubChem CID58428527
Molecular FormulaC38H34F3N3O3
Molecular Weight637.70 g/mol
Exact Mass637.26
IUPAC NameN-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide
SMILESCc1ccccc1NC(=O)Cc1ccc(-c2ccc(CC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C38H34F3N3O3/c1-25-7-5-6-10-32(25)42-34(46)24-27-13-17-30(18-14-27)29-15-11-26(12-16-29)23-33(45)35-36(38(39,40)41)43-37(47-35)44-21-19-31(20-22-44)28-8-3-2-4-9-28/h2-18,31H,19-24H2,1H3,(H,42,46)
InChIKeyPRVWJECUQJEMGE-UHFFFAOYSA-N
XLogP8.66
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.70
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide 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-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide (CID 58428527) is N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide is Cc1ccccc1NC(=O)Cc1ccc(-c2ccc(CC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide?
The InChIKey is PRVWJECUQJEMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34F3N3O3/c1-25-7-5-6-10-32(25)42-34(46)24-27-13-17-30(18-14-27)29-15-11-26(12-16-29)23-33(45)35-36(38(39,40)41)43-37(47-35)44-21-19-31(20-22-44)28-8-3-2-4-9-28/h2-18,31H,19-24H2,1H3,(H,42,46).
What are the key properties of N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide?
N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide has a molecular weight of 637.70 g/mol, XLogP of 8.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-[4-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 58428527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).