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

C15H15FN2O6S — CID 7623974

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
SMILESCc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O6S/c1-10-8-13(18-24-10)17-14(19)9-23-15(20)6-7-25(21,22)12-4-2-11(16)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyMHHYDUAMHCCVQS-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.47
Rot. Bonds7

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate (PubChem CID 7623974) has the molecular formula C15H15FN2O6S and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
PubChem CID7623974
Molecular FormulaC15H15FN2O6S
Molecular Weight370.36 g/mol
Exact Mass370.06
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
SMILESCc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O6S/c1-10-8-13(18-24-10)17-14(19)9-23-15(20)6-7-25(21,22)12-4-2-11(16)3-5-12/h2-5,8H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyMHHYDUAMHCCVQS-UHFFFAOYSA-N
XLogP1.47
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate 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-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate (CID 7623974) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate is Cc1cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate?
The InChIKey is MHHYDUAMHCCVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O6S/c1-10-8-13(18-24-10)17-14(19)9-23-15(20)6-7-25(21,22)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)sulfonylpropanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate has a molecular weight of 370.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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)sulfonylpropanoate is sourced from PubChem (CID 7623974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).