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

C19H16N4O3 — CID 90465996

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one
SMILESCc1noc(C)c1-c1ccc2c(=O)[nH]n3c2c1OCC3c1ccccn1
InChIInChI=1S/C19H16N4O3/c1-10-16(11(2)26-22-10)12-6-7-13-17-18(12)25-9-15(23(17)21-19(13)24)14-5-3-4-8-20-14/h3-8,15H,9H2,1-2H3,(H,21,24)
InChIKeyAKYWXIRMBILVAU-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.98
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-4(12),5,7-trien-3-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one (PubChem CID 90465996) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 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-4(12),5,7-trien-3-one.

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-4(12),5,7-trien-3-one
PubChem CID90465996
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
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-4(12),5,7-trien-3-one
SMILESCc1noc(C)c1-c1ccc2c(=O)[nH]n3c2c1OCC3c1ccccn1
InChIInChI=1S/C19H16N4O3/c1-10-16(11(2)26-22-10)12-6-7-13-17-18(12)25-9-15(23(17)21-19(13)24)14-5-3-4-8-20-14/h3-8,15H,9H2,1-2H3,(H,21,24)
InChIKeyAKYWXIRMBILVAU-UHFFFAOYSA-N
XLogP2.98
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-4(12),5,7-trien-3-one?
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-4(12),5,7-trien-3-one (CID 90465996) 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-4(12),5,7-trien-3-one.
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-4(12),5,7-trien-3-one?
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-4(12),5,7-trien-3-one is Cc1noc(C)c1-c1ccc2c(=O)[nH]n3c2c1OCC3c1ccccn1.
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-4(12),5,7-trien-3-one?
The InChIKey is AKYWXIRMBILVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-10-16(11(2)26-22-10)12-6-7-13-17-18(12)25-9-15(23(17)21-19(13)24)14-5-3-4-8-20-14/h3-8,15H,9H2,1-2H3,(H,21,24).
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-4(12),5,7-trien-3-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one has a molecular weight of 348.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 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-4(12),5,7-trien-3-one is sourced from PubChem (CID 90465996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).