2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole

C17H11ClN4O — CID 58247209

IUPAC2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1
InChIInChI=1S/C17H11ClN4O/c1-10-6-2-3-7-11(10)16-21-22-17(23-16)14-15(18)20-13-9-5-4-8-12(13)19-14/h2-9H,1H3
InChIKeyALJCODFNPITXAE-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.31
Rot. Bonds2

About 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole

2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 58247209) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole
PubChem CID58247209
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1
InChIInChI=1S/C17H11ClN4O/c1-10-6-2-3-7-11(10)16-21-22-17(23-16)14-15(18)20-13-9-5-4-8-12(13)19-14/h2-9H,1H3
InChIKeyALJCODFNPITXAE-UHFFFAOYSA-N
XLogP4.31
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole (CID 58247209) is 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(-c2nc3ccccc3nc2Cl)o1.
What is the InChIKey of 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is ALJCODFNPITXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c1-10-6-2-3-7-11(10)16-21-22-17(23-16)14-15(18)20-13-9-5-4-8-12(13)19-14/h2-9H,1H3.
What are the key properties of 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 322.76 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroquinoxalin-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 58247209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).