2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol

C11H8N2O2S — CID 136547874

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol
SMILESCc1nnc(-c2sc3ccccc3c2O)o1
InChIInChI=1S/C11H8N2O2S/c1-6-12-13-11(15-6)10-9(14)7-4-2-3-5-8(7)16-10/h2-5,14H,1H3
InChIKeyFIQSQBYJNHCWKQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.97
Rot. Bonds1

About 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol

2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol (PubChem CID 136547874) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol
PubChem CID136547874
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol
SMILESCc1nnc(-c2sc3ccccc3c2O)o1
InChIInChI=1S/C11H8N2O2S/c1-6-12-13-11(15-6)10-9(14)7-4-2-3-5-8(7)16-10/h2-5,14H,1H3
InChIKeyFIQSQBYJNHCWKQ-UHFFFAOYSA-N
XLogP2.97
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
CID 158204466
2-(4-chlorophenyl)-1-benzothiophen-3-ol
CID 15700624
2-(3-chloro-1-benzothiophen-2-yl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 17391032
2-[(4-methylphenyl)diazenyl]-1-benzothiophen-3-ol
CID 916163
[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanol
CID 56709300
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288
5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 15141971
2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole
CID 126993668
2-(3-chloro-1-benzothiophen-2-yl)-5-(2-methylsulfanylethylsulfanyl)-1,3,4-oxadiazole
CID 7875900
2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole
CID 136522449
S-[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl] benzenecarbothioate
CID 56969764
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol (CID 136547874) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol is Cc1nnc(-c2sc3ccccc3c2O)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol?
The InChIKey is FIQSQBYJNHCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c1-6-12-13-11(15-6)10-9(14)7-4-2-3-5-8(7)16-10/h2-5,14H,1H3.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol has a molecular weight of 232.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol is sourced from PubChem (CID 136547874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).