2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

C19H16N4OS — CID 46549092

IUPAC2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc2ccccc2nc1SC(C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H16N4OS/c1-12-19(21-16-11-7-6-10-15(16)20-12)25-13(2)17-22-23-18(24-17)14-8-4-3-5-9-14/h3-11,13H,1-2H3
InChIKeyLNEKVVJVAXAALT-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.84
Rot. Bonds4

About 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 46549092) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID46549092
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc2ccccc2nc1SC(C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H16N4OS/c1-12-19(21-16-11-7-6-10-15(16)20-12)25-13(2)17-22-23-18(24-17)14-8-4-3-5-9-14/h3-11,13H,1-2H3
InChIKeyLNEKVVJVAXAALT-UHFFFAOYSA-N
XLogP4.84
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7627765
2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole
CID 3798588
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 8954336
2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 30091775
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 7628835
2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40510123
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-(3,4-dimethylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629590

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (CID 46549092) is 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is Cc1nc2ccccc2nc1SC(C)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is LNEKVVJVAXAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-19(21-16-11-7-6-10-15(16)20-12)25-13(2)17-22-23-18(24-17)14-8-4-3-5-9-14/h3-11,13H,1-2H3.
What are the key properties of 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 348.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 46549092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).