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

C11H11NO2S — CID 5325027

IUPAC3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(SC)on2)cc1
InChIInChI=1S/C11H11NO2S/c1-13-9-5-3-8(4-6-9)10-7-11(15-2)14-12-10/h3-7H,1-2H3
InChIKeyXSGYBQONSWWHGM-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.07
Rot. Bonds3

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

3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole (PubChem CID 5325027) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole
PubChem CID5325027
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(SC)on2)cc1
InChIInChI=1S/C11H11NO2S/c1-13-9-5-3-8(4-6-9)10-7-11(15-2)14-12-10/h3-7H,1-2H3
InChIKeyXSGYBQONSWWHGM-UHFFFAOYSA-N
XLogP3.07
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride
CID 125425595
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
hydroxy-methoxy-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-methylphosphanium
CID 57029038
5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 71460051
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
CID 68883545
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 10352930
5-bromo-3-(4-methoxyphenyl)pyridazine
CID 117107154

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole (CID 5325027) is 3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole is COc1ccc(-c2cc(SC)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole?
The InChIKey is XSGYBQONSWWHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-13-9-5-3-8(4-6-9)10-7-11(15-2)14-12-10/h3-7H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole?
3-(4-methoxyphenyl)-5-methylsulfanyl-1,2-oxazole has a molecular weight of 221.28 g/mol, XLogP of 3.07, 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-methylsulfanyl-1,2-oxazole is sourced from PubChem (CID 5325027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).