5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole

C19H19NO2S — CID 58178270

IUPAC5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2ccc(SC)cc2)cc(C)c1C
InChIInChI=1S/C19H19NO2S/c1-12-9-15(10-18(21-3)13(12)2)19-17(11-20-22-19)14-5-7-16(23-4)8-6-14/h5-11H,1-4H3
InChIKeySETZXVKXIFOILN-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.36
Rot. Bonds4

About 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole

5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole (PubChem CID 58178270) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole
PubChem CID58178270
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole
SMILESCOc1cc(-c2oncc2-c2ccc(SC)cc2)cc(C)c1C
InChIInChI=1S/C19H19NO2S/c1-12-9-15(10-18(21-3)13(12)2)19-17(11-20-22-19)14-5-7-16(23-4)8-6-14/h5-11H,1-4H3
InChIKeySETZXVKXIFOILN-UHFFFAOYSA-N
XLogP5.36
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
CID 58178317
5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole
CID 58178258
4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
CID 58712172
[5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride
CID 123425049
[6-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1-oxohexan-2-yl]azanium chloride
CID 123184630
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229
5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole
CID 58178077
4-methoxy-6-(4-pyrimidin-5-yl-1,2-oxazol-5-yl)-1,3,2-benzodioxazole
CID 141302188
4-(2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 130439183
5-(4-bromophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
CID 58178030
2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
5-(4-chlorophenyl)-4-(2,3,4,5-tetramethoxyphenyl)-1,2-oxazole
CID 58178294

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole?
The IUPAC name of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole (CID 58178270) is 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole is COc1cc(-c2oncc2-c2ccc(SC)cc2)cc(C)c1C.
What is the InChIKey of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole?
The InChIKey is SETZXVKXIFOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-12-9-15(10-18(21-3)13(12)2)19-17(11-20-22-19)14-5-7-16(23-4)8-6-14/h5-11H,1-4H3.
What are the key properties of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole?
5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole has a molecular weight of 325.43 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methylsulfanylphenyl)-1,2-oxazole is sourced from PubChem (CID 58178270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).