4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole

C17H17N5O2 — CID 42630184

IUPAC4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2nc(C)c3c(C)nc(-c4c(C)noc4C)n3c2n1
InChIInChI=1S/C17H17N5O2/c1-8-14(11(4)24-21-8)17-19-10(3)15-9(2)18-12-6-7-13(23-5)20-16(12)22(15)17/h6-7H,1-5H3
InChIKeyCOKUDYZZTUTYCB-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.17
Rot. Bonds2

About 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole

4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 42630184) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID42630184
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc2nc(C)c3c(C)nc(-c4c(C)noc4C)n3c2n1
InChIInChI=1S/C17H17N5O2/c1-8-14(11(4)24-21-8)17-19-10(3)15-9(2)18-12-6-7-13(23-5)20-16(12)22(15)17/h6-7H,1-5H3
InChIKeyCOKUDYZZTUTYCB-UHFFFAOYSA-N
XLogP3.17
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole (CID 42630184) is 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole is COc1ccc2nc(C)c3c(C)nc(-c4c(C)noc4C)n3c2n1.
What is the InChIKey of 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is COKUDYZZTUTYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-8-14(11(4)24-21-8)17-19-10(3)15-9(2)18-12-6-7-13(23-5)20-16(12)22(15)17/h6-7H,1-5H3.
What are the key properties of 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole?
4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 323.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 42630184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).