2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole

C13H8N4O — CID 90460124

IUPAC2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole
SMILESc1cnc2c(c1)[nH]c1ccc(-c3nnco3)cc12
InChIInChI=1S/C13H8N4O/c1-2-11-12(14-5-1)9-6-8(3-4-10(9)16-11)13-17-15-7-18-13/h1-7,16H
InChIKeyRRAWIHMQOQUYGW-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.77
Rot. Bonds1

About 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole

2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole (PubChem CID 90460124) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole
PubChem CID90460124
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole
SMILESc1cnc2c(c1)[nH]c1ccc(-c3nnco3)cc12
InChIInChI=1S/C13H8N4O/c1-2-11-12(14-5-1)9-6-8(3-4-10(9)16-11)13-17-15-7-18-13/h1-7,16H
InChIKeyRRAWIHMQOQUYGW-UHFFFAOYSA-N
XLogP2.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H-pyrido[3,2-b]indol-8-ol
CID 10511693
2-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole
CID 169409416
7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole
CID 155384571
2-(3-methylphenyl)-1,3,4-oxadiazole
CID 22937238
12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene
CID 144569289
5H-pyrido[3,2-b]indole-7-carbonitrile
CID 91665984
2-(4-nitro-1H-indol-2-yl)-1,3,4-oxadiazole
CID 135859975
benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 22354178
2-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3,4-oxadiazole
CID 70734595
5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 137392078
5-methyl-7H-pyrido[2,3-c]carbazole
CID 10331503

Frequently Asked Questions

What is the IUPAC name of 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole (CID 90460124) is 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole is c1cnc2c(c1)[nH]c1ccc(-c3nnco3)cc12.
What is the InChIKey of 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole?
The InChIKey is RRAWIHMQOQUYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c1-2-11-12(14-5-1)9-6-8(3-4-10(9)16-11)13-17-15-7-18-13/h1-7,16H.
What are the key properties of 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole?
2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole has a molecular weight of 236.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 90460124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).