3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole

C18H14N4O3 — CID 39781740

IUPAC3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole
SMILESCOc1cccc(OC)c1-c1noc(-c2cccc3nccnc23)n1
InChIInChI=1S/C18H14N4O3/c1-23-13-7-4-8-14(24-2)15(13)17-21-18(25-22-17)11-5-3-6-12-16(11)20-10-9-19-12/h3-10H,1-2H3
InChIKeyJKLNUHWSAAHSIY-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.36
Rot. Bonds4

About 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole

3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole (PubChem CID 39781740) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole
PubChem CID39781740
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole
SMILESCOc1cccc(OC)c1-c1noc(-c2cccc3nccnc23)n1
InChIInChI=1S/C18H14N4O3/c1-23-13-7-4-8-14(24-2)15(13)17-21-18(25-22-17)11-5-3-6-12-16(11)20-10-9-19-12/h3-10H,1-2H3
InChIKeyJKLNUHWSAAHSIY-UHFFFAOYSA-N
XLogP3.36
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39819329
2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104615619
2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 104615612
3-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330655
3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 104615591
5-quinoxalin-5-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 28736924
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
CID 112571983
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 154747111
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole (CID 39781740) is 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole is COc1cccc(OC)c1-c1noc(-c2cccc3nccnc23)n1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole?
The InChIKey is JKLNUHWSAAHSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-23-13-7-4-8-14(24-2)15(13)17-21-18(25-22-17)11-5-3-6-12-16(11)20-10-9-19-12/h3-10H,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole?
3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole has a molecular weight of 334.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-5-quinoxalin-5-yl-1,2,4-oxadiazole is sourced from PubChem (CID 39781740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).