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

C11H12N2O2S — CID 651410

IUPAC2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C11H12N2O2S/c1-3-16-11-13-12-10(15-11)8-4-6-9(14-2)7-5-8/h4-7H,3H2,1-2H3
InChIKeyRWIXHUVOMHDDPG-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.86
Rot. Bonds4

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

2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 651410) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID651410
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C11H12N2O2S/c1-3-16-11-13-12-10(15-11)8-4-6-9(14-2)7-5-8/h4-7H,3H2,1-2H3
InChIKeyRWIXHUVOMHDDPG-UHFFFAOYSA-N
XLogP2.86
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
2-(4-Methoxyphenyl)-1,3,4-oxadiazole
CID 766687
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(3-fluorobenzyl)thio]-1,3,4-oxadiazole
CID 44590237
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(4-methoxybenzyl)thio]-1,3,4-oxadiazole
CID 44590238
Oxadiazole derivative, 20i
CID 44590275
Oxadiazole derivative, 20h
CID 44590376
5-[[[5-(2,3-Dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-methoxybenzonitrile
CID 44590378
Oxadiazole derivative, 20m
CID 44590379
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(3-fluoro-4-methoxybenzyl)thio]-1,3,4-oxadiazole
CID 44590954
Oxadiazole derivative, 20a
CID 44590955
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 651410) is 2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole is CCSc1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of 2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is RWIXHUVOMHDDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-16-11-13-12-10(15-11)8-4-6-9(14-2)7-5-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 236.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 651410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).