N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide

C26H18N4O3 — CID 69370068

About N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide

N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 69370068) has the molecular formula C26H18N4O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 69370068
• Molecular Formula: C26H18N4O3
• Molecular Weight: 434.46 g/mol
• Exact Mass: 434.14
• IUPAC Name: N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
• SMILES: O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1cnoc1
• InChI: InChI=1S/C26H18N4O3/c31-25(18-7-4-8-21(13-18)28-26(32)20-15-27-33-16-20)19-10-11-22-23(29-30-24(22)14-19)12-9-17-5-2-1-3-6-17/h1-16H,(H,28,32)(H,29,30)/b12-9+
• InChIKey: XHMPJJVBAYBWPN-FMIVXFBMSA-N
• XLogP: 5.20
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.46
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide (CID 69370068) is N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide is O=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1cnoc1.

What is the InChIKey of N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide?

The InChIKey is XHMPJJVBAYBWPN-FMIVXFBMSA-N. The full InChI is InChI=1S/C26H18N4O3/c31-25(18-7-4-8-21(13-18)28-26(32)20-15-27-33-16-20)19-10-11-22-23(29-30-24(22)14-19)12-9-17-5-2-1-3-6-17/h1-16H,(H,28,32)(H,29,30)/b12-9+.

What are the key properties of N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide?

N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 69370068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).