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

C17H11ClN6O — CID 19902146

IUPAC5-(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
SMILESClc1cccc2c1c1nccn1c1c(-c3nc(C4CC4)no3)ncn21
InChIInChI=1S/C17H11ClN6O/c18-10-2-1-3-11-12(10)15-19-6-7-23(15)17-13(20-8-24(11)17)16-21-14(22-25-16)9-4-5-9/h1-3,6-9H,4-5H2
InChIKeyVPLRTUYDRKNZFF-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.72
Rot. Bonds2

About 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

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 (PubChem CID 19902146) has the molecular formula C17H11ClN6O and a molecular weight of 350.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID19902146
Molecular FormulaC17H11ClN6O
Molecular Weight350.77 g/mol
Exact Mass350.07
IUPAC Name5-(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
SMILESClc1cccc2c1c1nccn1c1c(-c3nc(C4CC4)no3)ncn21
InChIInChI=1S/C17H11ClN6O/c18-10-2-1-3-11-12(10)15-19-6-7-23(15)17-13(20-8-24(11)17)16-21-14(22-25-16)9-4-5-9/h1-3,6-9H,4-5H2
InChIKeyVPLRTUYDRKNZFF-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 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 with MolForge

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Related Compounds

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxy-4-methylimidazo[1,5-a]quinazolin-5-one
CID 14460525
3-cyclopropyl-5-imidazo[1,5-a]quinolin-3-yl-1,2,4-oxadiazole
CID 67925365
5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one
CID 19980273
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 19106539
3-cyclopropyl-5-(4-methylimidazo[1,5-a]quinoxalin-3-yl)-1,2,4-oxadiazole
CID 19817949
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
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-ethyl-6-methylimidazo[1,5-a]quinoxalin-4-one
CID 19980315
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
5-(15-chloro-2,4,8,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)-3-cyclopropyl-1,2,4-oxadiazole
CID 10067376
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63259990
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035
5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887527

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1cccc2c1c1nccn1c1c(-c3nc(C4CC4)no3)ncn21.
What is the InChIKey of 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?
The InChIKey is VPLRTUYDRKNZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O/c18-10-2-1-3-11-12(10)15-19-6-7-23(15)17-13(20-8-24(11)17)16-21-14(22-25-16)9-4-5-9/h1-3,6-9H,4-5H2.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 19902146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).