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

C19H15ClN2O3S — CID 50773664

IUPACN-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H15ClN2O3S/c1-12(23)14-3-2-4-16(9-14)22-18(24)11-26-19-21-10-17(25-19)13-5-7-15(20)8-6-13/h2-10H,11H2,1H3,(H,22,24)
InChIKeyIJXZMCBTYCVMBA-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.93
Rot. Bonds6

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

N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (PubChem CID 50773664) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
PubChem CID50773664
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H15ClN2O3S/c1-12(23)14-3-2-4-16(9-14)22-18(24)11-26-19-21-10-17(25-19)13-5-7-15(20)8-6-13/h2-10H,11H2,1H3,(H,22,24)
InChIKeyIJXZMCBTYCVMBA-UHFFFAOYSA-N
XLogP4.93
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 50773491
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
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-methoxyphenyl)acetamide
CID 50742963
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 50773681
2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773556
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 50773577
N-(4-bromophenyl)-2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 27371621
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
N-(3,4-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773608
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50775606

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide (CID 50773664) is N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
The InChIKey is IJXZMCBTYCVMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-12(23)14-3-2-4-16(9-14)22-18(24)11-26-19-21-10-17(25-19)13-5-7-15(20)8-6-13/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide?
N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide has a molecular weight of 386.86 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 50773664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).