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

C19H16N4O2 — CID 90465999

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCc1noc(C)c1-c1ccc2cnn3c2c1OCC3c1ccccn1
InChIInChI=1S/C19H16N4O2/c1-11-17(12(2)25-22-11)14-7-6-13-9-21-23-16(10-24-19(14)18(13)23)15-5-3-4-8-20-15/h3-9,16H,10H2,1-2H3
InChIKeySSSDWWMOVHHNDT-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.68
Rot. Bonds2

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (PubChem CID 90465999) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
PubChem CID90465999
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
SMILESCc1noc(C)c1-c1ccc2cnn3c2c1OCC3c1ccccn1
InChIInChI=1S/C19H16N4O2/c1-11-17(12(2)25-22-11)14-7-6-13-9-21-23-16(10-24-19(14)18(13)23)15-5-3-4-8-20-15/h3-9,16H,10H2,1-2H3
InChIKeySSSDWWMOVHHNDT-UHFFFAOYSA-N
XLogP3.68
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene (CID 90465999) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is Cc1noc(C)c1-c1ccc2cnn3c2c1OCC3c1ccccn1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene?
The InChIKey is SSSDWWMOVHHNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-17(12(2)25-22-11)14-7-6-13-9-21-23-16(10-24-19(14)18(13)23)15-5-3-4-8-20-15/h3-9,16H,10H2,1-2H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-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-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene has a molecular weight of 332.36 g/mol, XLogP of 3.68, 2 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)-11-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene is sourced from PubChem (CID 90465999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).