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

C26H18N4O3 — CID 69370068

IUPACN-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1cnoc1
InChIInChI=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+
InChIKeyXHMPJJVBAYBWPN-FMIVXFBMSA-N
MW434.46 g/mol
LogP5.20
Rot. Bonds6

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 NameN-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID69370068
Molecular FormulaC26H18N4O3
Molecular Weight434.46 g/mol
Exact Mass434.14
IUPAC NameN-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1cnoc1
InChIInChI=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+
InChIKeyXHMPJJVBAYBWPN-FMIVXFBMSA-N
XLogP5.20
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).