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

C11H9N3O — CID 135876288

IUPAC2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C11H9N3O/c1-7-13-14-11(15-7)9-6-12-10-5-3-2-4-8(9)10/h2-6,12H,1H3
InChIKeyUHWOXTBRTCBJEU-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.53
Rot. Bonds1

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

2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 135876288) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID135876288
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C11H9N3O/c1-7-13-14-11(15-7)9-6-12-10-5-3-2-4-8(9)10/h2-6,12H,1H3
InChIKeyUHWOXTBRTCBJEU-UHFFFAOYSA-N
XLogP2.53
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
CID 135667478
N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine
CID 175670558
2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 135623350
2-benzylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 858959
6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol
CID 139559776
5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 175670615
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135558011
2-(1H-indol-3-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 135798291
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
2-(1H-indol-3-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 858951
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole (CID 135876288) is 2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is UHWOXTBRTCBJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-7-13-14-11(15-7)9-6-12-10-5-3-2-4-8(9)10/h2-6,12H,1H3.
What are the key properties of 2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole?
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 199.21 g/mol, XLogP of 2.53, 1 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-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 135876288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).