methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate

C15H17FN2O4 — CID 126462816

IUPACmethyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C15H17FN2O4/c1-9(15(20)21-2)17-14(19)13-8-12(18-22-13)7-10-3-5-11(16)6-4-10/h3-6,9,13H,7-8H2,1-2H3,(H,17,19)/t9-,13?/m1/s1
InChIKeyNZRQTNMORCRZES-CGCSKFHYSA-N
MW308.31 g/mol
LogP1.19
Rot. Bonds5

About methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate

methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate (PubChem CID 126462816) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate
PubChem CID126462816
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Namemethyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C15H17FN2O4/c1-9(15(20)21-2)17-14(19)13-8-12(18-22-13)7-10-3-5-11(16)6-4-10/h3-6,9,13H,7-8H2,1-2H3,(H,17,19)/t9-,13?/m1/s1
InChIKeyNZRQTNMORCRZES-CGCSKFHYSA-N
XLogP1.19
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-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 (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate (CID 126462816) is methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)C1CC(Cc2ccc(F)cc2)=NO1.
What is the InChIKey of methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate?
The InChIKey is NZRQTNMORCRZES-CGCSKFHYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-9(15(20)21-2)17-14(19)13-8-12(18-22-13)7-10-3-5-11(16)6-4-10/h3-6,9,13H,7-8H2,1-2H3,(H,17,19)/t9-,13?/m1/s1.
What are the key properties of methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate?
methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate has a molecular weight of 308.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 126462816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).