1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one

C18H15NO2S — CID 700702

IUPAC1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H15NO2S/c1-13(20)12-22-18-19-16(14-8-4-2-5-9-14)17(21-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeySQOFVHPBOAQZCT-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.69
Rot. Bonds5

About 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one

1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one (PubChem CID 700702) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one
PubChem CID700702
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H15NO2S/c1-13(20)12-22-18-19-16(14-8-4-2-5-9-14)17(21-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeySQOFVHPBOAQZCT-UHFFFAOYSA-N
XLogP4.69
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Darglitazone
CID 60870
2-Amino-4,5-diphenyloxazole
CID 188210
2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Benzoxazole, 2-(4-methoxybenzylthio)-
CID 578373
1-[3-(1,3-Benzoxazol-2-ylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 707179
2-[(4,5-Diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 776898
Methyl 4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzoate
CID 977836
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 3928154
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 9967345
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-phenyl-oxazole
CID 10041271
2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-N-(4-methylbenzyl)acetamide
CID 16007828

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
The IUPAC name of 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one (CID 700702) is 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one.
What is the SMILES notation for 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
The canonical SMILES for 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one is CC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
The InChIKey is SQOFVHPBOAQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-13(20)12-22-18-19-16(14-8-4-2-5-9-14)17(21-18)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one?
1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one has a molecular weight of 309.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one is sourced from PubChem (CID 700702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).