[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate

C15H14Cl2N2O4S — CID 2571528

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
SMILESCc1cc(NC(=O)COC(=O)CSCc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C15H14Cl2N2O4S/c1-9-4-13(19-23-9)18-14(20)6-22-15(21)8-24-7-10-2-3-11(16)12(17)5-10/h2-5H,6-8H2,1H3,(H,18,19,20)
InChIKeyQMKDBLAJHWLONL-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.70
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate (PubChem CID 2571528) has the molecular formula C15H14Cl2N2O4S and a molecular weight of 389.26 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
PubChem CID2571528
Molecular FormulaC15H14Cl2N2O4S
Molecular Weight389.26 g/mol
Exact Mass388.01
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
SMILESCc1cc(NC(=O)COC(=O)CSCc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C15H14Cl2N2O4S/c1-9-4-13(19-23-9)18-14(20)6-22-15(21)8-24-7-10-2-3-11(16)12(17)5-10/h2-5H,6-8H2,1H3,(H,18,19,20)
InChIKeyQMKDBLAJHWLONL-UHFFFAOYSA-N
XLogP3.70
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate with MolForge

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Related Compounds

[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42085510
(2-anilino-2-oxoethyl) 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 2543447
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
CID 7362948
[2-(4-methoxyanilino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7799323
[2-(2-methylanilino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 2543421
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466784
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 2513008
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55470219
(4-methylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466617
[2-(2-fluoroanilino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 2543479
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466774
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466768

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate (CID 2571528) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate is Cc1cc(NC(=O)COC(=O)CSCc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate?
The InChIKey is QMKDBLAJHWLONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-9-4-13(19-23-9)18-14(20)6-22-15(21)8-24-7-10-2-3-11(16)12(17)5-10/h2-5H,6-8H2,1H3,(H,18,19,20).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate has a molecular weight of 389.26 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate is sourced from PubChem (CID 2571528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).