2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole

C10H10N2OS — CID 963535

IUPAC2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C10H10N2OS/c1-2-14-10-12-11-9(13-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyTXZJGJDQANIVIV-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.85
Rot. Bonds3

About 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole

2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 963535) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole
PubChem CID963535
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C10H10N2OS/c1-2-14-10-12-11-9(13-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyTXZJGJDQANIVIV-UHFFFAOYSA-N
XLogP2.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
1,3,4-Oxadiazole, 2-phenyl-
CID 13217
2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259997
2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole
CID 314941
2-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 351190
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole
CID 17227
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-thienyl)-
CID 745354
2-(3-Methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 259998
2-{[2-(1,3-Dioxan-2-yl)ethyl]sulfanyl}-5-phenyl-1,3,4-oxadiazole
CID 697197

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole (CID 963535) is 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole is CCSc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is TXZJGJDQANIVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-14-10-12-11-9(13-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole?
2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 206.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 963535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).