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

C14H14N2O4S — CID 2616505

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCc1cc(NC(=O)COC(=O)CSc2ccccc2)no1
InChIInChI=1S/C14H14N2O4S/c1-10-7-12(16-20-10)15-13(17)8-19-14(18)9-21-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,16,17)
InChIKeyFNUIEKZXQXASLI-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.26
Rot. Bonds6

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate (PubChem CID 2616505) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate
PubChem CID2616505
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCc1cc(NC(=O)COC(=O)CSc2ccccc2)no1
InChIInChI=1S/C14H14N2O4S/c1-10-7-12(16-20-10)15-13(17)8-19-14(18)9-21-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,16,17)
InChIKeyFNUIEKZXQXASLI-UHFFFAOYSA-N
XLogP2.26
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate (CID 2616505) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate is Cc1cc(NC(=O)COC(=O)CSc2ccccc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate?
The InChIKey is FNUIEKZXQXASLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-7-12(16-20-10)15-13(17)8-19-14(18)9-21-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,16,17).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-phenylsulfanylacetate has a molecular weight of 306.34 g/mol, XLogP of 2.26, 6 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-phenylsulfanylacetate is sourced from PubChem (CID 2616505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).