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

C19H15FN2O3S — CID 27371426

IUPACN-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C19H15FN2O3S/c1-12(23)13-4-8-16(9-5-13)22-18(24)11-26-19-21-10-17(25-19)14-2-6-15(20)7-3-14/h2-10H,11H2,1H3,(H,22,24)
InChIKeyORTZLPDQLZRXLE-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.41
Rot. Bonds6

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

N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 27371426) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID27371426
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC NameN-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C19H15FN2O3S/c1-12(23)13-4-8-16(9-5-13)22-18(24)11-26-19-21-10-17(25-19)14-2-6-15(20)7-3-14/h2-10H,11H2,1H3,(H,22,24)
InChIKeyORTZLPDQLZRXLE-UHFFFAOYSA-N
XLogP4.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 27371426) is N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is ORTZLPDQLZRXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-12(23)13-4-8-16(9-5-13)22-18(24)11-26-19-21-10-17(25-19)14-2-6-15(20)7-3-14/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27371426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).