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

C18H14F2N2O2S — CID 27371427

IUPACN-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)ccc1F
InChIInChI=1S/C18H14F2N2O2S/c1-11-8-14(6-7-15(11)20)22-17(23)10-25-18-21-9-16(24-18)12-2-4-13(19)5-3-12/h2-9H,10H2,1H3,(H,22,23)
InChIKeyXIKHHTJAJQYXNX-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.66
Rot. Bonds5

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

N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 27371427) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID27371427
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)ccc1F
InChIInChI=1S/C18H14F2N2O2S/c1-11-8-14(6-7-15(11)20)22-17(23)10-25-18-21-9-16(24-18)12-2-4-13(19)5-3-12/h2-9H,10H2,1H3,(H,22,23)
InChIKeyXIKHHTJAJQYXNX-UHFFFAOYSA-N
XLogP4.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 27371427) is N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is Cc1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is XIKHHTJAJQYXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-11-8-14(6-7-15(11)20)22-17(23)10-25-18-21-9-16(24-18)12-2-4-13(19)5-3-12/h2-9H,10H2,1H3,(H,22,23).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27371427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).