2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole

C17H13N3O — CID 860743

IUPAC2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21
InChIInChI=1S/C17H13N3O/c1-20-11-14(13-9-5-6-10-15(13)20)17-19-18-16(21-17)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyFHLUQYJFWJIBTM-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.90
Rot. Bonds2

About 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole

2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 860743) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID860743
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21
InChIInChI=1S/C17H13N3O/c1-20-11-14(13-9-5-6-10-15(13)20)17-19-18-16(21-17)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyFHLUQYJFWJIBTM-UHFFFAOYSA-N
XLogP3.90
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole (CID 860743) is 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole is Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FHLUQYJFWJIBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-20-11-14(13-9-5-6-10-15(13)20)17-19-18-16(21-17)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole?
2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 275.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 860743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).