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

C17H11F3N2O2S — CID 16603633

IUPACN-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cc(F)ccc1F
InChIInChI=1S/C17H11F3N2O2S/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)
InChIKeyZLIAKNOBGZEFGR-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.49
Rot. Bonds5

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

N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 16603633) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID16603633
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC NameN-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cc(F)ccc1F
InChIInChI=1S/C17H11F3N2O2S/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)
InChIKeyZLIAKNOBGZEFGR-UHFFFAOYSA-N
XLogP4.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 16603633) is N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is ZLIAKNOBGZEFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/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 N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 364.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16603633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).