13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one

C17H14N6O2 — CID 10782921

IUPAC13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one
SMILESO=C1CNc2cccc3c2N1Cc1c(-c2noc(C4CC4)n2)ncn1-3
InChIInChI=1S/C17H14N6O2/c24-13-6-18-10-2-1-3-11-15(10)22(13)7-12-14(19-8-23(11)12)16-20-17(25-21-16)9-4-5-9/h1-3,8-9,18H,4-7H2
InChIKeyOZHYKVCSXJSSLT-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.07
Rot. Bonds2

About 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one

13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one (PubChem CID 10782921) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one.

Molecular Properties

Compound Name13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one
PubChem CID10782921
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one
SMILESO=C1CNc2cccc3c2N1Cc1c(-c2noc(C4CC4)n2)ncn1-3
InChIInChI=1S/C17H14N6O2/c24-13-6-18-10-2-1-3-11-15(10)22(13)7-12-14(19-8-23(11)12)16-20-17(25-21-16)9-4-5-9/h1-3,8-9,18H,4-7H2
InChIKeyOZHYKVCSXJSSLT-UHFFFAOYSA-N
XLogP2.07
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one?
The IUPAC name of 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one (CID 10782921) is 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one.
What is the SMILES notation for 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one?
The canonical SMILES for 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one is O=C1CNc2cccc3c2N1Cc1c(-c2noc(C4CC4)n2)ncn1-3.
What is the InChIKey of 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one?
The InChIKey is OZHYKVCSXJSSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c24-13-6-18-10-2-1-3-11-15(10)22(13)7-12-14(19-8-23(11)12)16-20-17(25-21-16)9-4-5-9/h1-3,8-9,18H,4-7H2.
What are the key properties of 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one?
13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one has a molecular weight of 334.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1,4,10,12-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,11,13-pentaen-2-one is sourced from PubChem (CID 10782921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).