3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole

C17H11ClN6O — CID 150137014

IUPAC3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole
SMILESClc1ccc2c(c1)n1cnc(-c3noc(C4CC4)n3)c1n1ccnc21
InChIInChI=1S/C17H11ClN6O/c18-10-3-4-11-12(7-10)24-8-20-13(17(24)23-6-5-19-15(11)23)14-21-16(25-22-14)9-1-2-9/h3-9H,1-2H2
InChIKeyFCLQAGQERSHMFL-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.72
Rot. Bonds2

About 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole

3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole (PubChem CID 150137014) has the molecular formula C17H11ClN6O and a molecular weight of 350.77 g/mol. Its IUPAC name is 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole
PubChem CID150137014
Molecular FormulaC17H11ClN6O
Molecular Weight350.77 g/mol
Exact Mass350.07
IUPAC Name3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole
SMILESClc1ccc2c(c1)n1cnc(-c3noc(C4CC4)n3)c1n1ccnc21
InChIInChI=1S/C17H11ClN6O/c18-10-3-4-11-12(7-10)24-8-20-13(17(24)23-6-5-19-15(11)23)14-21-16(25-22-14)9-1-2-9/h3-9H,1-2H2
InChIKeyFCLQAGQERSHMFL-UHFFFAOYSA-N
XLogP3.72
TPSA73.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-cyclopropyl-3-(9-methyl-2,4,7,8,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-5-yl)-1,2,4-oxadiazole
CID 19784290
5-(13-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole
CID 19902146
10-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-3-thia-1,8,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,9,11-tetraen-7-one
CID 15085566
3-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 67887433
[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone
CID 22912904
7-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889666
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-morpholin-4-ylimidazo[1,5-a]quinoline-5-carboxamide
CID 21220817
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one
CID 19980314
3-(14-chloro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole
CID 10316796
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
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CID 10570476
3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 46891023

Frequently Asked Questions

What is the IUPAC name of 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole (CID 150137014) is 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole is Clc1ccc2c(c1)n1cnc(-c3noc(C4CC4)n3)c1n1ccnc21.
What is the InChIKey of 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is FCLQAGQERSHMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O/c18-10-3-4-11-12(7-10)24-8-20-13(17(24)23-6-5-19-15(11)23)14-21-16(25-22-14)9-1-2-9/h3-9H,1-2H2.
What are the key properties of 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole?
3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 350.77 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(15-chloro-2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaen-5-yl)-5-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 150137014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).