[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate

C20H19NO4S — CID 16869906

IUPAC[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCc1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C20H19NO4S/c1-3-26-19-10-5-4-9-17(19)20(22)24-13-15-12-18(25-21-15)14-7-6-8-16(11-14)23-2/h4-12H,3,13H2,1-2H3
InChIKeyHPMATCGAVMGBEN-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.82
Rot. Bonds7

About [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate (PubChem CID 16869906) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
PubChem CID16869906
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCc1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C20H19NO4S/c1-3-26-19-10-5-4-9-17(19)20(22)24-13-15-12-18(25-21-15)14-7-6-8-16(11-14)23-2/h4-12H,3,13H2,1-2H3
InChIKeyHPMATCGAVMGBEN-UHFFFAOYSA-N
XLogP4.82
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
CID 16869806
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-methoxybenzoate
CID 8809016
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18208639
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16867345
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate?
The IUPAC name of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate (CID 16869906) is [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate?
The canonical SMILES for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate is CCSc1ccccc1C(=O)OCc1cc(-c2cccc(OC)c2)on1.
What is the InChIKey of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate?
The InChIKey is HPMATCGAVMGBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-3-26-19-10-5-4-9-17(19)20(22)24-13-15-12-18(25-21-15)14-7-6-8-16(11-14)23-2/h4-12H,3,13H2,1-2H3.
What are the key properties of [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate?
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate has a molecular weight of 369.44 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate is sourced from PubChem (CID 16869906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).