2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone

C19H17NO3S — CID 9457445

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
SMILESCc1nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)oc1C
InChIInChI=1S/C19H17NO3S/c1-13-14(2)22-19(20-13)24-12-18(21)15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChIKeyOKQCNTGTVPLANU-UHFFFAOYSA-N
MW339.42 g/mol
LogP5.06
Rot. Bonds6

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone (PubChem CID 9457445) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
PubChem CID9457445
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
SMILESCc1nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)oc1C
InChIInChI=1S/C19H17NO3S/c1-13-14(2)22-19(20-13)24-12-18(21)15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChIKeyOKQCNTGTVPLANU-UHFFFAOYSA-N
XLogP5.06
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-phenoxyphenyl)ethanone
CID 2198262
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-phenylacetamide
CID 9456919
1-(2,4-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 71942192
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenoxyphenyl)ethanone
CID 38834289
3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one
CID 38834210
1-(2,4-dihydroxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 75413789
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 828968
4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide
CID 106926311
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-phenylphenyl)ethanone
CID 602357
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 9423677
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate
CID 103607414

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone (CID 9457445) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone is Cc1nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone?
The InChIKey is OKQCNTGTVPLANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-13-14(2)22-19(20-13)24-12-18(21)15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone has a molecular weight of 339.42 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone is sourced from PubChem (CID 9457445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).