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

C18H13ClF3N3O3S — CID 78829223

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H13ClF3N3O3S/c19-13-7-3-2-6-12(13)16-24-25-17(27-16)29-10-15(26)23-9-11-5-1-4-8-14(11)28-18(20,21)22/h1-8H,9-10H2,(H,23,26)
InChIKeyVOXHIGZYDSVAHS-UHFFFAOYSA-N
MW443.83 g/mol
LogP4.70
Rot. Bonds7

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

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 78829223) has the molecular formula C18H13ClF3N3O3S and a molecular weight of 443.83 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID78829223
Molecular FormulaC18H13ClF3N3O3S
Molecular Weight443.83 g/mol
Exact Mass443.03
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2Cl)o1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H13ClF3N3O3S/c19-13-7-3-2-6-12(13)16-24-25-17(27-16)29-10-15(26)23-9-11-5-1-4-8-14(11)28-18(20,21)22/h1-8H,9-10H2,(H,23,26)
InChIKeyVOXHIGZYDSVAHS-UHFFFAOYSA-N
XLogP4.70
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.83
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 78846287
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9165928
ethyl 2-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate
CID 3856127
2-(4-chlorophenyl)sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 34322066
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9304194
N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2342347
N-[(2-fluorophenyl)methyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9346197
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4562852
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 9165636
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 4222244
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-difluorophenyl)acetamide
CID 78824827
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 155951178

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 78829223) is 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(CSc1nnc(-c2ccccc2Cl)o1)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is VOXHIGZYDSVAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O3S/c19-13-7-3-2-6-12(13)16-24-25-17(27-16)29-10-15(26)23-9-11-5-1-4-8-14(11)28-18(20,21)22/h1-8H,9-10H2,(H,23,26).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 443.83 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 78829223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).