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

C20H17N3O2 — CID 90465995

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCc1noc(C)c1-c1ccc2cnn3c2c1OCC3c1ccccc1
InChIInChI=1S/C20H17N3O2/c1-12-18(13(2)25-22-12)16-9-8-15-10-21-23-17(11-24-20(16)19(15)23)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3
InChIKeyJGCWTEYWMPQUKX-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.29
Rot. Bonds2

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-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)-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (PubChem CID 90465995) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-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)-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
PubChem CID90465995
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCc1noc(C)c1-c1ccc2cnn3c2c1OCC3c1ccccc1
InChIInChI=1S/C20H17N3O2/c1-12-18(13(2)25-22-12)16-9-8-15-10-21-23-17(11-24-20(16)19(15)23)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3
InChIKeyJGCWTEYWMPQUKX-UHFFFAOYSA-N
XLogP4.29
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-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)-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)-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (CID 90465995) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-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)-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)-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is Cc1noc(C)c1-c1ccc2cnn3c2c1OCC3c1ccccc1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The InChIKey is JGCWTEYWMPQUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-18(13(2)25-22-12)16-9-8-15-10-21-23-17(11-24-20(16)19(15)23)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-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)-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene has a molecular weight of 331.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-phenyl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is sourced from PubChem (CID 90465995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).