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

C16H11N3O — CID 135876310

IUPAC2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-11(7-3-1)15-18-19-16(20-15)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H
InChIKeyMMRKZTRRBCSTDD-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.88
Rot. Bonds2

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

2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 135876310) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID135876310
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-11(7-3-1)15-18-19-16(20-15)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H
InChIKeyMMRKZTRRBCSTDD-UHFFFAOYSA-N
XLogP3.88
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl indole-3-carboxylate
CID 589098
Nortropisetron
CID 10199314
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
Ethyl Indole-3-carboxylate
CID 247965
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
[2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 4792909
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 5201155
[2-oxo-2-(1-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 16339991
N'-(1H-pyrrol-2-ylmethylene)-1H-indole-3-carbohydrazide
CID 135475143

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole (CID 135876310) is 2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3c[nH]c4ccccc34)o2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is MMRKZTRRBCSTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-6-11(7-3-1)15-18-19-16(20-15)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H.
What are the key properties of 2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole?
2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 261.28 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 135876310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).