N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide

C19H16N2O3S — CID 84552661

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
SMILESCc1cc(NC(=O)c2cccc(SCC(=O)c3ccccc3)c2)no1
InChIInChI=1S/C19H16N2O3S/c1-13-10-18(21-24-13)20-19(23)15-8-5-9-16(11-15)25-12-17(22)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyRKDAEYLTWHOEHG-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.21
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide

N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide (PubChem CID 84552661) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
PubChem CID84552661
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
SMILESCc1cc(NC(=O)c2cccc(SCC(=O)c3ccccc3)c2)no1
InChIInChI=1S/C19H16N2O3S/c1-13-10-18(21-24-13)20-19(23)15-8-5-9-16(11-15)25-12-17(22)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyRKDAEYLTWHOEHG-UHFFFAOYSA-N
XLogP4.21
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(2-ethylphenyl)-3-phenacylsulfanylbenzamide
CID 84552506
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19318016
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
CID 84560916
2-[(3-phenacylsulfanylbenzoyl)amino]propanoic acid
CID 84557002
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093
3-methyl-2-[(3-phenacylsulfanylbenzoyl)amino]butanoic acid
CID 84557031
N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
N-(3,5-dichloro-2-pyridinyl)-3-phenacylsulfanylbenzamide
CID 84560928
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide (CID 84552661) is N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide is Cc1cc(NC(=O)c2cccc(SCC(=O)c3ccccc3)c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide?
The InChIKey is RKDAEYLTWHOEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-13-10-18(21-24-13)20-19(23)15-8-5-9-16(11-15)25-12-17(22)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,20,21,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide has a molecular weight of 352.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide is sourced from PubChem (CID 84552661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).