(5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate

C14H14ClNO5S — CID 8938778

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate
SMILESCc1cc(COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H14ClNO5S/c1-10-8-12(16-21-10)9-20-14(17)6-7-22(18,19)13-4-2-11(15)3-5-13/h2-5,8H,6-7,9H2,1H3
InChIKeyOJXZYDCGOBWPEM-UHFFFAOYSA-N
MW343.79 g/mol
LogP2.54
Rot. Bonds6

About (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate

(5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate (PubChem CID 8938778) has the molecular formula C14H14ClNO5S and a molecular weight of 343.79 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate
PubChem CID8938778
Molecular FormulaC14H14ClNO5S
Molecular Weight343.79 g/mol
Exact Mass343.03
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate
SMILESCc1cc(COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H14ClNO5S/c1-10-8-12(16-21-10)9-20-14(17)6-7-22(18,19)13-4-2-11(15)3-5-13/h2-5,8H,6-7,9H2,1H3
InChIKeyOJXZYDCGOBWPEM-UHFFFAOYSA-N
XLogP2.54
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate (CID 8938778) is (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate is Cc1cc(COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate?
The InChIKey is OJXZYDCGOBWPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO5S/c1-10-8-12(16-21-10)9-20-14(17)6-7-22(18,19)13-4-2-11(15)3-5-13/h2-5,8H,6-7,9H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate?
(5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate has a molecular weight of 343.79 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 3-(4-chlorophenyl)sulfonylpropanoate is sourced from PubChem (CID 8938778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).