[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

C15H15FN2O4S — CID 7972367

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCc1cc(NC(=O)COC(=O)CCSc2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O4S/c1-10-8-13(18-22-10)17-14(19)9-21-15(20)6-7-23-12-4-2-11(16)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyXSYWDALUOZJPIJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.79
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 7972367) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID7972367
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCc1cc(NC(=O)COC(=O)CCSc2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O4S/c1-10-8-13(18-22-10)17-14(19)9-21-15(20)6-7-23-12-4-2-11(16)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyXSYWDALUOZJPIJ-UHFFFAOYSA-N
XLogP2.79
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.79
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] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 7972367) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is Cc1cc(NC(=O)COC(=O)CCSc2ccc(F)cc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is XSYWDALUOZJPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-10-8-13(18-22-10)17-14(19)9-21-15(20)6-7-23-12-4-2-11(16)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,17,18,19).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 338.36 g/mol, XLogP of 2.79, 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] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 7972367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).