5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one

C17H14N6O3 — CID 15268199

IUPAC5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one
SMILESCOn1c(=O)n2c3c(cccc31)-n1cnc(-c3noc(C4CC4)n3)c1C2
InChIInChI=1S/C17H14N6O3/c1-25-23-11-4-2-3-10-14(11)21(17(23)24)7-12-13(18-8-22(10)12)15-19-16(26-20-15)9-5-6-9/h2-4,8-9H,5-7H2,1H3
InChIKeyTZOCFNOFVIRARU-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.34
Rot. Bonds3

About 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one

5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one (PubChem CID 15268199) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one
PubChem CID15268199
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one
SMILESCOn1c(=O)n2c3c(cccc31)-n1cnc(-c3noc(C4CC4)n3)c1C2
InChIInChI=1S/C17H14N6O3/c1-25-23-11-4-2-3-10-14(11)21(17(23)24)7-12-13(18-8-22(10)12)15-19-16(26-20-15)9-5-6-9/h2-4,8-9H,5-7H2,1H3
InChIKeyTZOCFNOFVIRARU-UHFFFAOYSA-N
XLogP1.34
TPSA92.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one?
The IUPAC name of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one (CID 15268199) is 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one.
What is the SMILES notation for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one?
The canonical SMILES for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one is COn1c(=O)n2c3c(cccc31)-n1cnc(-c3noc(C4CC4)n3)c1C2.
What is the InChIKey of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one?
The InChIKey is TZOCFNOFVIRARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-25-23-11-4-2-3-10-14(11)21(17(23)24)7-12-13(18-8-22(10)12)15-19-16(26-20-15)9-5-6-9/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one?
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one has a molecular weight of 350.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-10-methoxy-2,4,8,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),3,5,11(15),12-pentaen-9-one is sourced from PubChem (CID 15268199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).