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

C22H19N3O3 — CID 91198422

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

(5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 91198422) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is (5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: (5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 91198422
• Molecular Formula: C22H19N3O3
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.14
• IUPAC Name: (5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(C(O)c2ccccc2)cc1)[C@@H]1C=C(c2cccnc2)NO1
• InChI: InChI=1S/C22H19N3O3/c26-21(15-5-2-1-3-6-15)16-8-10-18(11-9-16)24-22(27)20-13-19(25-28-20)17-7-4-12-23-14-17/h1-14,20-21,25-26H,(H,24,27)/t20-,21?/m0/s1
• InChIKey: JTWKRJMWJDCPSI-BGERDNNASA-N
• XLogP: 3.05
• TPSA: 83.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide (CID 91198422) is (5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide.

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

The canonical SMILES for (5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(C(O)c2ccccc2)cc1)[C@@H]1C=C(c2cccnc2)NO1.

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

The InChIKey is JTWKRJMWJDCPSI-BGERDNNASA-N. The full InChI is InChI=1S/C22H19N3O3/c26-21(15-5-2-1-3-6-15)16-8-10-18(11-9-16)24-22(27)20-13-19(25-28-20)17-7-4-12-23-14-17/h1-14,20-21,25-26H,(H,24,27)/t20-,21?/m0/s1.

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

(5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-[4-[hydroxy(phenyl)methyl]phenyl]-3-pyridin-3-yl-2,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91198422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).