3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole

C12H13NO2S — CID 68883545

IUPAC3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
SMILESCOc1ccc(-c2noc(C)c2SC)cc1
InChIInChI=1S/C12H13NO2S/c1-8-12(16-3)11(13-15-8)9-4-6-10(14-2)7-5-9/h4-7H,1-3H3
InChIKeyLQYDKLKLZFUTBY-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.38
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole

3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole (PubChem CID 68883545) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
PubChem CID68883545
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
SMILESCOc1ccc(-c2noc(C)c2SC)cc1
InChIInChI=1S/C12H13NO2S/c1-8-12(16-3)11(13-15-8)9-4-6-10(14-2)7-5-9/h4-7H,1-3H3
InChIKeyLQYDKLKLZFUTBY-UHFFFAOYSA-N
XLogP3.38
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-5-methyl-4-nitro-1,2-oxazole
CID 154708659
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209670
3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole
CID 5325027
[carbamoyl(methylsulfanyl)carbamoyl] 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 87816012
[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone
CID 141166162
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407
4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol
CID 136602125
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
2-(4-methoxyphenyl)-6-methylpyridin-3-ol
CID 68887118

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole (CID 68883545) is 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole is COc1ccc(-c2noc(C)c2SC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole?
The InChIKey is LQYDKLKLZFUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-12(16-3)11(13-15-8)9-4-6-10(14-2)7-5-9/h4-7H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole?
3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole has a molecular weight of 235.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole is sourced from PubChem (CID 68883545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).