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

C17H18N2O6S — CID 7799127

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
SMILESCOc1ccccc1C(=O)COC(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H18N2O6S/c1-11-7-15(19-25-11)18-16(21)9-26-10-17(22)24-8-13(20)12-5-3-4-6-14(12)23-2/h3-7H,8-10H2,1-2H3,(H,18,19,21)
InChIKeyDADNUVAJGLSBQU-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.09
Rot. Bonds9

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

[2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate (PubChem CID 7799127) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
PubChem CID7799127
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
SMILESCOc1ccccc1C(=O)COC(=O)CSCC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H18N2O6S/c1-11-7-15(19-25-11)18-16(21)9-26-10-17(22)24-8-13(20)12-5-3-4-6-14(12)23-2/h3-7H,8-10H2,1-2H3,(H,18,19,21)
InChIKeyDADNUVAJGLSBQU-UHFFFAOYSA-N
XLogP2.09
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate (CID 7799127) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate is COc1ccccc1C(=O)COC(=O)CSCC(=O)Nc1cc(C)on1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?
The InChIKey is DADNUVAJGLSBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-11-7-15(19-25-11)18-16(21)9-26-10-17(22)24-8-13(20)12-5-3-4-6-14(12)23-2/h3-7H,8-10H2,1-2H3,(H,18,19,21).
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate has a molecular weight of 378.41 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 7799127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).