N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide

C24H20N4O3 — CID 90873632

About N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 90873632) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 90873632
• Molecular Formula: C24H20N4O3
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.15
• IUPAC Name: N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: N#CC(CO)(c1ccccc1)c1ccc(NC(=O)C2C=C(c3cccnc3)NO2)cc1
• InChI: InChI=1S/C24H20N4O3/c25-15-24(16-29,18-6-2-1-3-7-18)19-8-10-20(11-9-19)27-23(30)22-13-21(28-31-22)17-5-4-12-26-14-17/h1-14,22,28-29H,16H2,(H,27,30)
• InChIKey: DFGBIEHWZDUFOP-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 107.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide (CID 90873632) is N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide is N#CC(CO)(c1ccccc1)c1ccc(NC(=O)C2C=C(c3cccnc3)NO2)cc1.

What is the InChIKey of N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is DFGBIEHWZDUFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c25-15-24(16-29,18-6-2-1-3-7-18)19-8-10-20(11-9-19)27-23(30)22-13-21(28-31-22)17-5-4-12-26-14-17/h1-14,22,28-29H,16H2,(H,27,30).

What are the key properties of N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide?

N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-cyano-2-hydroxy-1-phenylethyl)phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90873632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).