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

C17H12F2N2O2S — CID 50773798

IUPACN-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)cc1
InChIInChI=1S/C17H12F2N2O2S/c18-12-3-1-11(2-4-12)15-9-20-17(23-15)24-10-16(22)21-14-7-5-13(19)6-8-14/h1-9H,10H2,(H,21,22)
InChIKeyKAHOKAIYQNKRAR-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.35
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 50773798) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID50773798
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)cc1
InChIInChI=1S/C17H12F2N2O2S/c18-12-3-1-11(2-4-12)15-9-20-17(23-15)24-10-16(22)21-14-7-5-13(19)6-8-14/h1-9H,10H2,(H,21,22)
InChIKeyKAHOKAIYQNKRAR-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
N-(3,4-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773608
N-(2-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 55495881
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 50773681
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
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 50773642
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50742963
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50773491
N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 27371621

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 50773798) is N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is KAHOKAIYQNKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c18-12-3-1-11(2-4-12)15-9-20-17(23-15)24-10-16(22)21-14-7-5-13(19)6-8-14/h1-9H,10H2,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 346.36 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 50773798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).