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

C18H14ClFN2O2S — CID 16581166

IUPACN-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C18H14ClFN2O2S/c1-11-2-7-14(8-15(11)19)22-17(23)10-25-18-21-9-16(24-18)12-3-5-13(20)6-4-12/h2-9H,10H2,1H3,(H,22,23)
InChIKeyXCRJAFSIXMGOIX-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.17
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 16581166) has the molecular formula C18H14ClFN2O2S and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID16581166
Molecular FormulaC18H14ClFN2O2S
Molecular Weight376.84 g/mol
Exact Mass376.04
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1Cl
InChIInChI=1S/C18H14ClFN2O2S/c1-11-2-7-14(8-15(11)19)22-17(23)10-25-18-21-9-16(24-18)12-3-5-13(20)6-4-12/h2-9H,10H2,1H3,(H,22,23)
InChIKeyXCRJAFSIXMGOIX-UHFFFAOYSA-N
XLogP5.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 16581166) is N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is XCRJAFSIXMGOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S/c1-11-2-7-14(8-15(11)19)22-17(23)10-25-18-21-9-16(24-18)12-3-5-13(20)6-4-12/h2-9H,10H2,1H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 376.84 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16581166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).