2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole

C17H12N4OS — CID 3798588

IUPAC2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc2ccccc2nc1Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H12N4OS/c1-11-16(19-14-10-6-5-9-13(14)18-11)23-17-21-20-15(22-17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyKOHPWBAEVNSKAC-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.14
Rot. Bonds3

About 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole

2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 3798588) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole
PubChem CID3798588
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc2ccccc2nc1Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H12N4OS/c1-11-16(19-14-10-6-5-9-13(14)18-11)23-17-21-20-15(22-17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyKOHPWBAEVNSKAC-UHFFFAOYSA-N
XLogP4.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 9333518
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
2-(1,3-benzothiazol-2-ylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 78805429
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole
CID 156769453
2-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 23613653
4-(3-methylquinoxalin-2-yl)sulfanylaniline
CID 62375535
4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol
CID 172676237
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole (CID 3798588) is 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole is Cc1nc2ccccc2nc1Sc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KOHPWBAEVNSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-11-16(19-14-10-6-5-9-13(14)18-11)23-17-21-20-15(22-17)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole?
2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 320.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 3798588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).