2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C18H15Cl2N3O2S — CID 43975298

IUPAC2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCSc1ccc(Cc2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c1-2-26-13-6-3-11(4-7-13)9-16-22-23-18(25-16)21-17(24)14-10-12(19)5-8-15(14)20/h3-8,10H,2,9H2,1H3,(H,21,23,24)
InChIKeyGTXIMLZPUWVRJJ-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.33
Rot. Bonds6

About 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43975298) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43975298
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCSc1ccc(Cc2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c1-2-26-13-6-3-11(4-7-13)9-16-22-23-18(25-16)21-17(24)14-10-12(19)5-8-15(14)20/h3-8,10H,2,9H2,1H3,(H,21,23,24)
InChIKeyGTXIMLZPUWVRJJ-UHFFFAOYSA-N
XLogP5.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethylbenzamide
CID 43975536
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43975517
3-bromo-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975347
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43975293
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43975320
1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
CID 43975330
4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975408
4-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973708
3-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973710
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pentoxybenzamide
CID 43975392
2-(4-ethoxyphenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975495

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43975298) is 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCSc1ccc(Cc2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1.
What is the InChIKey of 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is GTXIMLZPUWVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-2-26-13-6-3-11(4-7-13)9-16-22-23-18(25-16)21-17(24)14-10-12(19)5-8-15(14)20/h3-8,10H,2,9H2,1H3,(H,21,23,24).
What are the key properties of 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 408.31 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43975298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).