N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide

C23H17N5O2 — CID 10200715

About N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide

N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide (PubChem CID 10200715) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 10200715
• Molecular Formula: C23H17N5O2
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.14
• IUPAC Name: N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide
• SMILES: Cc1ccc2nc(-c3cn[nH]c3-c3cccc(NC(=O)c4ccccn4)c3)oc2c1
• InChI: InChI=1S/C23H17N5O2/c1-14-8-9-18-20(11-14)30-23(27-18)17-13-25-28-21(17)15-5-4-6-16(12-15)26-22(29)19-7-2-3-10-24-19/h2-13H,1H3,(H,25,28)(H,26,29)
• InChIKey: MGHJNHXOEQOWQK-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide (CID 10200715) is N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide is Cc1ccc2nc(-c3cn[nH]c3-c3cccc(NC(=O)c4ccccn4)c3)oc2c1.

What is the InChIKey of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is MGHJNHXOEQOWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-14-8-9-18-20(11-14)30-23(27-18)17-13-25-28-21(17)15-5-4-6-16(12-15)26-22(29)19-7-2-3-10-24-19/h2-13H,1H3,(H,25,28)(H,26,29).

What are the key properties of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide?

N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 10200715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).