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

C19H17N5O2 — CID 95273803

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

(5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 95273803) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: (5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide
• PubChem CID: 95273803
• Molecular Formula: C19H17N5O2
• Molecular Weight: 347.38 g/mol
• Exact Mass: 347.14
• IUPAC Name: (5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccccn2)n1)C1=NO[C@H](c2ccccc2)C1
• InChI: InChI=1S/C19H17N5O2/c25-19(16-12-17(26-23-16)14-6-2-1-3-7-14)21-18-9-11-24(22-18)13-15-8-4-5-10-20-15/h1-11,17H,12-13H2,(H,21,22,25)/t17-/m0/s1
• InChIKey: FCNZIMIPHNTVFP-KRWDZBQOSA-N
• XLogP: 2.78
• TPSA: 81.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.38
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 95273803) is (5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for (5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1ccn(Cc2ccccn2)n1)C1=NO[C@H](c2ccccc2)C1.

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

The InChIKey is FCNZIMIPHNTVFP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-19(16-12-17(26-23-16)14-6-2-1-3-7-14)21-18-9-11-24(22-18)13-15-8-4-5-10-20-15/h1-11,17H,12-13H2,(H,21,22,25)/t17-/m0/s1.

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

(5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95273803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).