2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole

C27H19N5O — CID 155807611

IUPAC2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESC(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C27H19N5O/c1-3-9-19(10-4-1)26-20(18-32(31-26)21-11-5-2-6-12-21)15-16-25-29-30-27(33-25)23-17-28-24-14-8-7-13-22(23)24/h1-18,28H/b16-15+
InChIKeySFBXAIWOZMHLBO-FOCLMDBBSA-N
MW429.48 g/mol
LogP6.24
Rot. Bonds5

About 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole

2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 155807611) has the molecular formula C27H19N5O and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID155807611
Molecular FormulaC27H19N5O
Molecular Weight429.48 g/mol
Exact Mass429.16
IUPAC Name2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESC(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C27H19N5O/c1-3-9-19(10-4-1)26-20(18-32(31-26)21-11-5-2-6-12-21)15-16-25-29-30-27(33-25)23-17-28-24-14-8-7-13-22(23)24/h1-18,28H/b16-15+
InChIKeySFBXAIWOZMHLBO-FOCLMDBBSA-N
XLogP6.24
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole (CID 155807611) is 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole is C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is SFBXAIWOZMHLBO-FOCLMDBBSA-N. The full InChI is InChI=1S/C27H19N5O/c1-3-9-19(10-4-1)26-20(18-32(31-26)21-11-5-2-6-12-21)15-16-25-29-30-27(33-25)23-17-28-24-14-8-7-13-22(23)24/h1-18,28H/b16-15+.
What are the key properties of 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 429.48 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 155807611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).