5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole

C19H19NO4S — CID 71765732

IUPAC5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2ccccc2SC)cc(OC)c1OC
InChIInChI=1S/C19H19NO4S/c1-21-14-9-12(10-15(22-2)19(14)23-3)17-18(24-11-20-17)13-7-5-6-8-16(13)25-4/h5-11H,1-4H3
InChIKeyGWYXTUQEFRVHKZ-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.76
Rot. Bonds6

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

5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (PubChem CID 71765732) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
PubChem CID71765732
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2ncoc2-c2ccccc2SC)cc(OC)c1OC
InChIInChI=1S/C19H19NO4S/c1-21-14-9-12(10-15(22-2)19(14)23-3)17-18(24-11-20-17)13-7-5-6-8-16(13)25-4/h5-11H,1-4H3
InChIKeyGWYXTUQEFRVHKZ-UHFFFAOYSA-N
XLogP4.76
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole (CID 71765732) is 5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is COc1cc(-c2ncoc2-c2ccccc2SC)cc(OC)c1OC.
What is the InChIKey of 5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The InChIKey is GWYXTUQEFRVHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-21-14-9-12(10-15(22-2)19(14)23-3)17-18(24-11-20-17)13-7-5-6-8-16(13)25-4/h5-11H,1-4H3.
What are the key properties of 5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole has a molecular weight of 357.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 71765732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).