5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole

C17H11N5OS — CID 10925644

IUPAC5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ncn4c3CSc3ncccc3-4)no2)cc1
InChIInChI=1S/C17H11N5OS/c1-2-5-11(6-3-1)16-20-15(21-23-16)14-13-9-24-17-12(7-4-8-18-17)22(13)10-19-14/h1-8,10H,9H2
InChIKeyLTRBREBRXJFCHY-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.59
Rot. Bonds2

About 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole

5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole (PubChem CID 10925644) has the molecular formula C17H11N5OS and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole
PubChem CID10925644
Molecular FormulaC17H11N5OS
Molecular Weight333.38 g/mol
Exact Mass333.07
IUPAC Name5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ncn4c3CSc3ncccc3-4)no2)cc1
InChIInChI=1S/C17H11N5OS/c1-2-5-11(6-3-1)16-20-15(21-23-16)14-13-9-24-17-12(7-4-8-18-17)22(13)10-19-14/h1-8,10H,9H2
InChIKeyLTRBREBRXJFCHY-UHFFFAOYSA-N
XLogP3.59
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
3-(4-benzyl-5,7-dithia-1,11-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-10-yl)-5-cyclopropyl-1,2,4-oxadiazole
CID 11101260
3-imidazo[1,2-a]pyridin-6-yl-5-phenyl-1,2,4-oxadiazole
CID 139270871
5-phenyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine
CID 175019956
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][4,1]benzoxazepin-6-one
CID 54419033
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10519853
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 59604080
morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone
CID 53119621
7-bromo-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10340921
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole (CID 10925644) is 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole is c1ccc(-c2nc(-c3ncn4c3CSc3ncccc3-4)no2)cc1.
What is the InChIKey of 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole?
The InChIKey is LTRBREBRXJFCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS/c1-2-5-11(6-3-1)16-20-15(21-23-16)14-13-9-24-17-12(7-4-8-18-17)22(13)10-19-14/h1-8,10H,9H2.
What are the key properties of 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole?
5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole has a molecular weight of 333.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(8-thia-2,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 10925644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).