2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole

C14H17NO2S — CID 71844122

IUPAC2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCCSc1ccccc1OCc1nc(C)c(C)o1
InChIInChI=1S/C14H17NO2S/c1-4-18-13-8-6-5-7-12(13)16-9-14-15-10(2)11(3)17-14/h5-8H,4,9H2,1-3H3
InChIKeyAJCHALJKSCQBSE-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.98
Rot. Bonds5

About 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole

2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 71844122) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID71844122
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCCSc1ccccc1OCc1nc(C)c(C)o1
InChIInChI=1S/C14H17NO2S/c1-4-18-13-8-6-5-7-12(13)16-9-14-15-10(2)11(3)17-14/h5-8H,4,9H2,1-3H3
InChIKeyAJCHALJKSCQBSE-UHFFFAOYSA-N
XLogP3.98
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole (CID 71844122) is 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole is CCSc1ccccc1OCc1nc(C)c(C)o1.
What is the InChIKey of 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is AJCHALJKSCQBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-4-18-13-8-6-5-7-12(13)16-9-14-15-10(2)11(3)17-14/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole?
2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 263.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfanylphenoxy)methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 71844122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).