2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole

C15H19NO3S — CID 71870832

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CSc2cc(OC)c(OC)cc2C)o1
InChIInChI=1S/C15H19NO3S/c1-5-11-8-16-15(19-11)9-20-14-7-13(18-4)12(17-3)6-10(14)2/h6-8H,5,9H2,1-4H3
InChIKeyIUIOCCRBSSWSEU-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.85
Rot. Bonds6

About 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole

2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole (PubChem CID 71870832) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole
PubChem CID71870832
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CSc2cc(OC)c(OC)cc2C)o1
InChIInChI=1S/C15H19NO3S/c1-5-11-8-16-15(19-11)9-20-14-7-13(18-4)12(17-3)6-10(14)2/h6-8H,5,9H2,1-4H3
InChIKeyIUIOCCRBSSWSEU-UHFFFAOYSA-N
XLogP3.85
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole (CID 71870832) is 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole is CCc1cnc(CSc2cc(OC)c(OC)cc2C)o1.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole?
The InChIKey is IUIOCCRBSSWSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-5-11-8-16-15(19-11)9-20-14-7-13(18-4)12(17-3)6-10(14)2/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole?
2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole has a molecular weight of 293.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole is sourced from PubChem (CID 71870832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).