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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Related Compounds

Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-(1,3,4-oxadiazol-2-yl)-1H-indole-3-carboxamide
CID 59762338
N,N-Diethyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858944
N-tert-Butyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858948
[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 858960
3-(5-Ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-1H-indole
CID 858964
Methyl 1-(3-methylbenzoyl)-1H-indole-3-carboxylate
CID 3146123
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 5201155
methyl 1-(4-fluorobenzyl)-1H-indole-3-carboxylate
CID 951976
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
2-(1H-indol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 135908466
1-(2-Ethyl-piperidin-1-yl)-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 644615

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).