1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

C13H13NO3S — CID 103520257

IUPAC1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCOc1cccc(C(=O)CSc2nc(C)co2)c1
InChIInChI=1S/C13H13NO3S/c1-9-7-17-13(14-9)18-8-12(15)10-4-3-5-11(6-10)16-2/h3-7H,8H2,1-2H3
InChIKeyUJFDZFLIROXUQS-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (PubChem CID 103520257) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
PubChem CID103520257
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SMILESCOc1cccc(C(=O)CSc2nc(C)co2)c1
InChIInChI=1S/C13H13NO3S/c1-9-7-17-13(14-9)18-8-12(15)10-4-3-5-11(6-10)16-2/h3-7H,8H2,1-2H3
InChIKeyUJFDZFLIROXUQS-UHFFFAOYSA-N
XLogP2.97
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520160
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone
CID 30133824
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107786298
1-(3-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 112781790
2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 55101851
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-(3-methoxyphenyl)ethanone
CID 17481501
1-(3-methoxyphenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 41424645
2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-methoxyphenyl)ethanone
CID 1155287
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 43425714
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one
CID 41449301

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone (CID 103520257) is 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is COc1cccc(C(=O)CSc2nc(C)co2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
The InChIKey is UJFDZFLIROXUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9-7-17-13(14-9)18-8-12(15)10-4-3-5-11(6-10)16-2/h3-7H,8H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone?
1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone has a molecular weight of 263.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 103520257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).