2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide

C17H11ClF2N2O2S — CID 50773681

IUPAC2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(F)ccc1F
InChIInChI=1S/C17H11ClF2N2O2S/c18-11-3-1-10(2-4-11)15-8-21-17(24-15)25-9-16(23)22-14-7-12(19)5-6-13(14)20/h1-8H,9H2,(H,22,23)
InChIKeyPIGDTNLTQNGTIT-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.00
Rot. Bonds5

About 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 50773681) has the molecular formula C17H11ClF2N2O2S and a molecular weight of 380.80 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide
PubChem CID50773681
Molecular FormulaC17H11ClF2N2O2S
Molecular Weight380.80 g/mol
Exact Mass380.02
IUPAC Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(F)ccc1F
InChIInChI=1S/C17H11ClF2N2O2S/c18-11-3-1-10(2-4-11)15-8-21-17(24-15)25-9-16(23)22-14-7-12(19)5-6-13(14)20/h1-8H,9H2,(H,22,23)
InChIKeyPIGDTNLTQNGTIT-UHFFFAOYSA-N
XLogP5.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 50773577
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50773812
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
N-(2-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 55495881
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50773491
N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773664
N-(3,4-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773608
N-(4-bromo-2-fluorophenyl)-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 50773663
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50775533
N-(2,5-difluorophenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562423

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide (CID 50773681) is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide is O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is PIGDTNLTQNGTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O2S/c18-11-3-1-10(2-4-11)15-8-21-17(24-15)25-9-16(23)22-14-7-12(19)5-6-13(14)20/h1-8H,9H2,(H,22,23).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide?
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 380.80 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 50773681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).