7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene

C21H19N3O3 — CID 90465849

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCOc1nn2c3c(c(-c4c(C)noc4C)ccc13)OCC2c1ccccc1
InChIInChI=1S/C21H19N3O3/c1-12-18(13(2)27-23-12)15-9-10-16-19-20(15)26-11-17(14-7-5-4-6-8-14)24(19)22-21(16)25-3/h4-10,17H,11H2,1-3H3
InChIKeyIFBJXLKXSMLVQP-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.30
Rot. Bonds3

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene

7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (PubChem CID 90465849) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
PubChem CID90465849
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCOc1nn2c3c(c(-c4c(C)noc4C)ccc13)OCC2c1ccccc1
InChIInChI=1S/C21H19N3O3/c1-12-18(13(2)27-23-12)15-9-10-16-19-20(15)26-11-17(14-7-5-4-6-8-14)24(19)22-21(16)25-3/h4-10,17H,11H2,1-3H3
InChIKeyIFBJXLKXSMLVQP-UHFFFAOYSA-N
XLogP4.30
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (CID 90465849) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is COc1nn2c3c(c(-c4c(C)noc4C)ccc13)OCC2c1ccccc1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The InChIKey is IFBJXLKXSMLVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-12-18(13(2)27-23-12)15-9-10-16-19-20(15)26-11-17(14-7-5-4-6-8-14)24(19)22-21(16)25-3/h4-10,17H,11H2,1-3H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene has a molecular weight of 361.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methoxy-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is sourced from PubChem (CID 90465849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).