N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C24H25F3N4O3 — CID 155751824

About N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155751824) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155751824
• Molecular Formula: C24H25F3N4O3
• Molecular Weight: 474.48 g/mol
• Exact Mass: 474.19
• IUPAC Name: N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: O=C(Nc1cc2oc(C3CCCCC3)nc2cc1N1CCOCC1)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C24H25F3N4O3/c25-24(26,27)21-8-4-7-16(28-21)22(32)29-17-14-20-18(13-19(17)31-9-11-33-12-10-31)30-23(34-20)15-5-2-1-3-6-15/h4,7-8,13-15H,1-3,5-6,9-12H2,(H,29,32)
• InChIKey: SPUAUBKISQMZLW-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.48
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155751824) is N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2oc(C3CCCCC3)nc2cc1N1CCOCC1)c1cccc(C(F)(F)F)n1.

What is the InChIKey of N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is SPUAUBKISQMZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c25-24(26,27)21-8-4-7-16(28-21)22(32)29-17-14-20-18(13-19(17)31-9-11-33-12-10-31)30-23(34-20)15-5-2-1-3-6-15/h4,7-8,13-15H,1-3,5-6,9-12H2,(H,29,32).

What are the key properties of N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?

N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclohexyl-5-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155751824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).