N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C24H32F3N3O2 — CID 66792819

About N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 66792819) has the molecular formula C24H32F3N3O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 66792819
• Molecular Formula: C24H32F3N3O2
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.24
• IUPAC Name: N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: CC(C)CN(Cc1c(C(=O)NC2CCCC2)noc1-c1ccc(C(F)(F)F)cc1)C(C)C
• InChI: InChI=1S/C24H32F3N3O2/c1-15(2)13-30(16(3)4)14-20-21(23(31)28-19-7-5-6-8-19)29-32-22(20)17-9-11-18(12-10-17)24(25,26)27/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,28,31)
• InChIKey: JIODXMIAERVJBQ-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 66792819) is N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is CC(C)CN(Cc1c(C(=O)NC2CCCC2)noc1-c1ccc(C(F)(F)F)cc1)C(C)C.

What is the InChIKey of N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is JIODXMIAERVJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O2/c1-15(2)13-30(16(3)4)14-20-21(23(31)28-19-7-5-6-8-19)29-32-22(20)17-9-11-18(12-10-17)24(25,26)27/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,28,31).

What are the key properties of N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66792819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).