3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole

C17H12N4O — CID 22180762

IUPAC3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole
SMILESCc1cccc(-c2nocc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C17H12N4O/c1-11-3-2-4-15(20-11)17-13(10-22-21-17)12-5-6-14-16(9-12)19-8-7-18-14/h2-10H,1H3
InChIKeyPMUQDPVEJLTJAW-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.66
Rot. Bonds2

About 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole

3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole (PubChem CID 22180762) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole
PubChem CID22180762
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole
SMILESCc1cccc(-c2nocc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C17H12N4O/c1-11-3-2-4-15(20-11)17-13(10-22-21-17)12-5-6-14-16(9-12)19-8-7-18-14/h2-10H,1H3
InChIKeyPMUQDPVEJLTJAW-UHFFFAOYSA-N
XLogP3.66
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole (CID 22180762) is 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole is Cc1cccc(-c2nocc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole?
The InChIKey is PMUQDPVEJLTJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-11-3-2-4-15(20-11)17-13(10-22-21-17)12-5-6-14-16(9-12)19-8-7-18-14/h2-10H,1H3.
What are the key properties of 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole?
3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole has a molecular weight of 288.31 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1,2-oxazole is sourced from PubChem (CID 22180762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).