2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide

C17H12ClF2N3O3S — CID 7533940

IUPAC2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H12ClF2N3O3S/c18-11-5-3-4-10(8-11)15-22-23-17(26-15)27-9-14(24)21-12-6-1-2-7-13(12)25-16(19)20/h1-8,16H,9H2,(H,21,24)
InChIKeyVFRRQFISECVDRS-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.72
Rot. Bonds7

About 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 7533940) has the molecular formula C17H12ClF2N3O3S and a molecular weight of 411.82 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID7533940
Molecular FormulaC17H12ClF2N3O3S
Molecular Weight411.82 g/mol
Exact Mass411.03
IUPAC Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H12ClF2N3O3S/c18-11-5-3-4-10(8-11)15-22-23-17(26-15)27-9-14(24)21-12-6-1-2-7-13(12)25-16(19)20/h1-8,16H,9H2,(H,21,24)
InChIKeyVFRRQFISECVDRS-UHFFFAOYSA-N
XLogP4.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide
CID 3926264
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 3250292
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-difluorophenyl)acetamide
CID 7533871
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 5031722
N-(2-methoxyphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1117444
N-(2,1,3-benzothiadiazol-4-yl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4600027
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 3619493
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3873196
dimethyl 2-[[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 4029708
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 7661190
N-benzyl-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1139618

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide (CID 7533940) is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide is O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is VFRRQFISECVDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O3S/c18-11-5-3-4-10(8-11)15-22-23-17(26-15)27-9-14(24)21-12-6-1-2-7-13(12)25-16(19)20/h1-8,16H,9H2,(H,21,24).
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide?
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 411.82 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7533940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).