(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate

C12H11ClN2O5S — CID 32709670

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
SMILESCc1cc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)on1
InChIInChI=1S/C12H11ClN2O5S/c1-7-4-9(20-15-7)6-19-12(16)8-2-3-10(13)11(5-8)21(14,17)18/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyBZWUNIKLEDDFGM-UHFFFAOYSA-N
MW330.75 g/mol
LogP1.64
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate

(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate (PubChem CID 32709670) has the molecular formula C12H11ClN2O5S and a molecular weight of 330.75 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
PubChem CID32709670
Molecular FormulaC12H11ClN2O5S
Molecular Weight330.75 g/mol
Exact Mass330.01
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
SMILESCc1cc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)on1
InChIInChI=1S/C12H11ClN2O5S/c1-7-4-9(20-15-7)6-19-12(16)8-2-3-10(13)11(5-8)21(14,17)18/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyBZWUNIKLEDDFGM-UHFFFAOYSA-N
XLogP1.64
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16598073
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
CID 18123565
(3-methyl-1,2-oxazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate
CID 31801590
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
(4-methylsulfanylphenyl)methyl 4-chloro-3-sulfamoylbenzoate
CID 2682456
2-ethylbutyl 4-chloro-3-sulfamoylbenzoate
CID 114208715
(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
CID 18098473
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18100306
[(2S)-oxolan-2-yl]methyl 4-chloro-3-sulfamoylbenzoate
CID 39902965

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate (CID 32709670) is (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate is Cc1cc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate?
The InChIKey is BZWUNIKLEDDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5S/c1-7-4-9(20-15-7)6-19-12(16)8-2-3-10(13)11(5-8)21(14,17)18/h2-5H,6H2,1H3,(H2,14,17,18).
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate has a molecular weight of 330.75 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 32709670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).