3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide

C27H22F3N5O3 — CID 23723325

About 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide

3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 23723325) has the molecular formula C27H22F3N5O3 and a molecular weight of 521.50 g/mol. Its IUPAC name is 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
• PubChem CID: 23723325
• Molecular Formula: C27H22F3N5O3
• Molecular Weight: 521.50 g/mol
• Exact Mass: 521.17
• IUPAC Name: 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
• SMILES: O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1
• InChI: InChI=1S/C27H22F3N5O3/c28-27(29,30)37-21-10-8-18(9-11-21)15-32-26(36)25-14-23(19-5-2-1-3-6-19)33-35(25)17-22-13-24(34-38-22)20-7-4-12-31-16-20/h1-12,14,16,22H,13,15,17H2,(H,32,36)
• InChIKey: MSPVQOMGVYOTBE-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 90.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.50
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?

The IUPAC name of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide (CID 23723325) is 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide.

What is the SMILES notation for 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?

The canonical SMILES for 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1.

What is the InChIKey of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?

The InChIKey is MSPVQOMGVYOTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O3/c28-27(29,30)37-21-10-8-18(9-11-21)15-32-26(36)25-14-23(19-5-2-1-3-6-19)33-35(25)17-22-13-24(34-38-22)20-7-4-12-31-16-20/h1-12,14,16,22H,13,15,17H2,(H,32,36).

What are the key properties of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?

3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 521.50 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 23723325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).