[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate

C15H15ClN2O6S — CID 3164231

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
SMILESCc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H15ClN2O6S/c1-10-8-13(18-24-10)17-14(19)9-23-15(20)6-7-25(21,22)12-4-2-11(16)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyQIBXTDOYXRQNNL-UHFFFAOYSA-N
MW386.81 g/mol
LogP1.98
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate (PubChem CID 3164231) has the molecular formula C15H15ClN2O6S and a molecular weight of 386.81 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
PubChem CID3164231
Molecular FormulaC15H15ClN2O6S
Molecular Weight386.81 g/mol
Exact Mass386.03
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
SMILESCc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H15ClN2O6S/c1-10-8-13(18-24-10)17-14(19)9-23-15(20)6-7-25(21,22)12-4-2-11(16)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyQIBXTDOYXRQNNL-UHFFFAOYSA-N
XLogP1.98
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-tert-butylisoxazol-3-yl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 24856117
2-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 676219
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 2497192
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 2563771
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
CID 2571528
[1-(2-Chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 24979130
2-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7254252
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylisoxazol-3-yl)propanamide
CID 44569589
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 2126008
3-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 2987214
3-(2,5-Dichloro-benzenesulfonyl)-propionic acid (5-methyl-isoxazol-3-ylcarbamoyl)-methyl ester
CID 3164228
N-(5-methylisoxazol-3-yl)-2-(phenylsulfonyl)acetamide
CID 974462

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate (CID 3164231) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate is Cc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate?
The InChIKey is QIBXTDOYXRQNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O6S/c1-10-8-13(18-24-10)17-14(19)9-23-15(20)6-7-25(21,22)12-4-2-11(16)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,17,18,19).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate has a molecular weight of 386.81 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate is sourced from PubChem (CID 3164231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).