2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole

C17H15ClN2O2S — CID 23660822

IUPAC2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCCSc1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C17H15ClN2O2S/c1-2-23-13-9-7-12(8-10-13)21-11-16-19-20-17(22-16)14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3
InChIKeyDBGOHPFDZQHQGX-UHFFFAOYSA-N
MW346.84 g/mol
LogP5.08
Rot. Bonds6

About 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 23660822) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID23660822
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCCSc1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C17H15ClN2O2S/c1-2-23-13-9-7-12(8-10-13)21-11-16-19-20-17(22-16)14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3
InChIKeyDBGOHPFDZQHQGX-UHFFFAOYSA-N
XLogP5.08
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.84
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
2-[(4-ethylsulfanylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 23660823
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
CID 110655686
2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660819
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
3-chloro-4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
CID 78814942
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate
CID 78761992
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(phenoxymethyl)-N-propylbenzamide
CID 24684596
[5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629754
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 112695503
2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655669

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole (CID 23660822) is 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole is CCSc1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is DBGOHPFDZQHQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-2-23-13-9-7-12(8-10-13)21-11-16-19-20-17(22-16)14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 346.84 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 23660822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).