N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide

C22H20F3N3O2 — CID 169199786

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide (PubChem CID 169199786) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
• PubChem CID: 169199786
• Molecular Formula: C22H20F3N3O2
• Molecular Weight: 415.42 g/mol
• Exact Mass: 415.15
• IUPAC Name: N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
• SMILES: Cc1cnc(CNC(=O)c2cnc3c(C4=CCC(C(F)(F)F)CC4)cccc3c2)o1
• InChI: InChI=1S/C22H20F3N3O2/c1-13-10-26-19(30-13)12-28-21(29)16-9-15-3-2-4-18(20(15)27-11-16)14-5-7-17(8-6-14)22(23,24)25/h2-5,9-11,17H,6-8,12H2,1H3,(H,28,29)
• InChIKey: NBTMNYMBOOZWNL-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.42
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?

The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide (CID 169199786) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide.

What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?

The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide is Cc1cnc(CNC(=O)c2cnc3c(C4=CCC(C(F)(F)F)CC4)cccc3c2)o1.

What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?

The InChIKey is NBTMNYMBOOZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-13-10-26-19(30-13)12-28-21(29)16-9-15-3-2-4-18(20(15)27-11-16)14-5-7-17(8-6-14)22(23,24)25/h2-5,9-11,17H,6-8,12H2,1H3,(H,28,29).

What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 169199786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).