5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one

C19H16N4O2 — CID 76684733

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2ccc3nccnc3c2)c1
InChIInChI=1S/C19H16N4O2/c1-12-19(13(2)25-22-12)15-4-6-18(24)23(11-15)10-14-3-5-16-17(9-14)21-8-7-20-16/h3-9,11H,10H2,1-2H3
InChIKeyRRTFBPYOQSLYLB-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.11
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one (PubChem CID 76684733) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one
PubChem CID76684733
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2ccc3nccnc3c2)c1
InChIInChI=1S/C19H16N4O2/c1-12-19(13(2)25-22-12)15-4-6-18(24)23(11-15)10-14-3-5-16-17(9-14)21-8-7-20-16/h3-9,11H,10H2,1-2H3
InChIKeyRRTFBPYOQSLYLB-UHFFFAOYSA-N
XLogP3.11
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one (CID 76684733) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one is Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc3nccnc3c2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one?
The InChIKey is RRTFBPYOQSLYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-19(13(2)25-22-12)15-4-6-18(24)23(11-15)10-14-3-5-16-17(9-14)21-8-7-20-16/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one has a molecular weight of 332.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one is sourced from PubChem (CID 76684733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).