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

C17H12ClFN2O2S — CID 50773689

IUPACN-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClFN2O2S/c18-12-3-7-14(8-4-12)21-16(22)10-24-17-20-9-15(23-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,21,22)
InChIKeyNSCZILTWHJKCDD-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.86
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 50773689) has the molecular formula C17H12ClFN2O2S and a molecular weight of 362.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID50773689
Molecular FormulaC17H12ClFN2O2S
Molecular Weight362.81 g/mol
Exact Mass362.03
IUPAC NameN-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClFN2O2S/c18-12-3-7-14(8-4-12)21-16(22)10-24-17-20-9-15(23-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,21,22)
InChIKeyNSCZILTWHJKCDD-UHFFFAOYSA-N
XLogP4.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,5-difluorophenyl)acetamide
CID 50773681
N-(3,4-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773608
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50773812
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 50773577
N-(2-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 55495881
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
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 27371621
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 50773689) is N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is NSCZILTWHJKCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2S/c18-12-3-7-14(8-4-12)21-16(22)10-24-17-20-9-15(23-17)11-1-5-13(19)6-2-11/h1-9H,10H2,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 362.81 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 50773689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).