4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C20H24F3N3O2 — CID 66792951

About 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 66792951) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 66792951
• Molecular Formula: C20H24F3N3O2
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.18
• IUPAC Name: 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: CC(C)[C@H](C)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNC1CC1
• InChI: InChI=1S/C20H24F3N3O2/c1-11(2)12(3)25-19(27)17-16(10-24-15-8-9-15)18(28-26-17)13-4-6-14(7-5-13)20(21,22)23/h4-7,11-12,15,24H,8-10H2,1-3H3,(H,25,27)/t12-/m0/s1
• InChIKey: ODJAEQPZISONCF-LBPRGKRZSA-N
• XLogP: 4.39
• TPSA: 67.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 66792951) is 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is CC(C)[C@H](C)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNC1CC1.

What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is ODJAEQPZISONCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-11(2)12(3)25-19(27)17-16(10-24-15-8-9-15)18(28-26-17)13-4-6-14(7-5-13)20(21,22)23/h4-7,11-12,15,24H,8-10H2,1-3H3,(H,25,27)/t12-/m0/s1.

What are the key properties of 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(cyclopropylamino)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66792951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).