(3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate

C14H15NO4S — CID 75524884

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate
SMILESCCS(=O)c1ccccc1C(=O)OCc1cc(C)no1
InChIInChI=1S/C14H15NO4S/c1-3-20(17)13-7-5-4-6-12(13)14(16)18-9-11-8-10(2)15-19-11/h4-8H,3,9H2,1-2H3
InChIKeyYGRMJGJLWLQJNW-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.47
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate

(3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate (PubChem CID 75524884) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate
PubChem CID75524884
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate
SMILESCCS(=O)c1ccccc1C(=O)OCc1cc(C)no1
InChIInChI=1S/C14H15NO4S/c1-3-20(17)13-7-5-4-6-12(13)14(16)18-9-11-8-10(2)15-19-11/h4-8H,3,9H2,1-2H3
InChIKeyYGRMJGJLWLQJNW-UHFFFAOYSA-N
XLogP2.47
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2-ethylsulfinylbenzoyl)oxymethyl]phenyl]methyl 2-ethylsulfinylbenzoate
CID 55374801
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfinylbenzoate
CID 55444884
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
CID 18098467
(4-cyanophenyl)methyl 2-[(R)-ethylsulfinyl]benzoate
CID 11916149
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfinylbenzoate
CID 55561765
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(R)-ethylsulfinyl]benzoate
CID 11916249
(3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate
CID 18124049
(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate
CID 18100055
(3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132973
(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 9477490
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11908270
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-ethylsulfinylbenzoate
CID 55374719

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate (CID 75524884) is (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate is CCS(=O)c1ccccc1C(=O)OCc1cc(C)no1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate?
The InChIKey is YGRMJGJLWLQJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-3-20(17)13-7-5-4-6-12(13)14(16)18-9-11-8-10(2)15-19-11/h4-8H,3,9H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate has a molecular weight of 293.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate is sourced from PubChem (CID 75524884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).