(5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate

C19H22N2O6S — CID 24982517

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CSC(C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C19H22N2O6S/c1-11-7-17(21-27-11)20-19(24)13(3)28-10-18(23)26-9-15-8-14(12(2)22)5-6-16(15)25-4/h5-8,13H,9-10H2,1-4H3,(H,20,21,24)
InChIKeyDTYDCOZDUIUGRZ-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.00
Rot. Bonds9

About (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate

(5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate (PubChem CID 24982517) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
PubChem CID24982517
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CSC(C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C19H22N2O6S/c1-11-7-17(21-27-11)20-19(24)13(3)28-10-18(23)26-9-15-8-14(12(2)22)5-6-16(15)25-4/h5-8,13H,9-10H2,1-4H3,(H,20,21,24)
InChIKeyDTYDCOZDUIUGRZ-UHFFFAOYSA-N
XLogP3.00
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate with MolForge

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 8606866
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953528
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534474
phenacyl 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953628
(3-nitrophenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 55312204
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7952600
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953626
(2S)-2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7698076
(2R)-2-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9478004
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953523
(2R)-2-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 26873247

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate (CID 24982517) is (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate is COc1ccc(C(C)=O)cc1COC(=O)CSC(C)C(=O)Nc1cc(C)on1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?
The InChIKey is DTYDCOZDUIUGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-11-7-17(21-27-11)20-19(24)13(3)28-10-18(23)26-9-15-8-14(12(2)22)5-6-16(15)25-4/h5-8,13H,9-10H2,1-4H3,(H,20,21,24).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate?
(5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate has a molecular weight of 406.46 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate is sourced from PubChem (CID 24982517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).