2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole

C11H12N2OS — CID 35766151

IUPAC2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C11H12N2OS/c1-3-15-11-13-12-10(14-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyXUXNAUCHKKTXQH-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.16
Rot. Bonds3

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

2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 35766151) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID35766151
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C11H12N2OS/c1-3-15-11-13-12-10(14-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyXUXNAUCHKKTXQH-UHFFFAOYSA-N
XLogP3.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 18130665
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanal
CID 4520484
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 6952022
2-[(4-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 1309344
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 750581
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879334
2-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 23613653
2-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 7816260
2-(4-methylphenyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,3,4-oxadiazole
CID 46409346
N-[(2S)-butan-2-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7816308
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 828968
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 654962

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 35766151) is 2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole is CCSc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of 2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is XUXNAUCHKKTXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-15-11-13-12-10(14-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 220.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 35766151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).