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

C14H13FN2O4S — CID 7355016

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCc1cc(NC(=O)COC(=O)CSc2ccccc2F)no1
InChIInChI=1S/C14H13FN2O4S/c1-9-6-12(17-21-9)16-13(18)7-20-14(19)8-22-11-5-3-2-4-10(11)15/h2-6H,7-8H2,1H3,(H,16,17,18)
InChIKeyLIHNLSMLNKTXIC-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.40
Rot. Bonds6

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355016) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355016
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCc1cc(NC(=O)COC(=O)CSc2ccccc2F)no1
InChIInChI=1S/C14H13FN2O4S/c1-9-6-12(17-21-9)16-13(18)7-20-14(19)8-22-11-5-3-2-4-10(11)15/h2-6H,7-8H2,1H3,(H,16,17,18)
InChIKeyLIHNLSMLNKTXIC-UHFFFAOYSA-N
XLogP2.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.40
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-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355016) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is Cc1cc(NC(=O)COC(=O)CSc2ccccc2F)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is LIHNLSMLNKTXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c1-9-6-12(17-21-9)16-13(18)7-20-14(19)8-22-11-5-3-2-4-10(11)15/h2-6H,7-8H2,1H3,(H,16,17,18).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 324.33 g/mol, XLogP of 2.40, 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-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).