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

C16H18N2O6S — CID 2126008

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
SMILESCc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H18N2O6S/c1-11-3-5-13(6-4-11)25(21,22)8-7-16(20)23-10-15(19)17-14-9-12(2)24-18-14/h3-6,9H,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyVEDZCSFFYSUMGD-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.64
Rot. Bonds7

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate (PubChem CID 2126008) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
PubChem CID2126008
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
SMILESCc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H18N2O6S/c1-11-3-5-13(6-4-11)25(21,22)8-7-16(20)23-10-15(19)17-14-9-12(2)24-18-14/h3-6,9H,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyVEDZCSFFYSUMGD-UHFFFAOYSA-N
XLogP1.64
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 22474540
N-(5-Methyl-isoxazol-3-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 2969761
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 2102357
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2490875
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 24980900
3-(4-Chloro-benzenesulfonyl)-propionic acid (5-methyl-isoxazol-3-ylcarbamoyl)-methyl ester
CID 3164231
[2-(2,4-Dimethylanilino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466771
3-(2,5-Dichloro-benzenesulfonyl)-propionic acid (5-methyl-isoxazol-3-ylcarbamoyl)-methyl ester
CID 3164228
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 567549
N-(5-methylisoxazol-3-yl)-2-(phenylsulfonyl)acetamide
CID 974462
N-(5-methylisoxazol-3-yl)-2-[benzylsulfonyl]acetamide
CID 977854

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate (CID 2126008) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate is Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The InChIKey is VEDZCSFFYSUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-11-3-5-13(6-4-11)25(21,22)8-7-16(20)23-10-15(19)17-14-9-12(2)24-18-14/h3-6,9H,7-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate has a molecular weight of 366.40 g/mol, XLogP of 1.64, 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-methylphenyl)sulfonylpropanoate is sourced from PubChem (CID 2126008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).