methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate

C15H15FN2O5 — CID 25372764

IUPACmethyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1coc(COc2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O5/c1-21-14(19)6-7-17-15(20)12-8-23-13(18-12)9-22-11-4-2-10(16)3-5-11/h2-5,8H,6-7,9H2,1H3,(H,17,20)
InChIKeyANJJTDRDZKYNBW-UHFFFAOYSA-N
MW322.29 g/mol
LogP1.69
Rot. Bonds7

About methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate

methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate (PubChem CID 25372764) has the molecular formula C15H15FN2O5 and a molecular weight of 322.29 g/mol. Its IUPAC name is methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate
PubChem CID25372764
Molecular FormulaC15H15FN2O5
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Namemethyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1coc(COc2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O5/c1-21-14(19)6-7-17-15(20)12-8-23-13(18-12)9-22-11-4-2-10(16)3-5-11/h2-5,8H,6-7,9H2,1H3,(H,17,20)
InChIKeyANJJTDRDZKYNBW-UHFFFAOYSA-N
XLogP1.69
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate 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 methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate (CID 25372764) is methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate is COC(=O)CCNC(=O)c1coc(COc2ccc(F)cc2)n1.
What is the InChIKey of methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate?
The InChIKey is ANJJTDRDZKYNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5/c1-21-14(19)6-7-17-15(20)12-8-23-13(18-12)9-22-11-4-2-10(16)3-5-11/h2-5,8H,6-7,9H2,1H3,(H,17,20).
What are the key properties of methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate?
methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate has a molecular weight of 322.29 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 25372764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).