3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid

C14H15FN2O3 — CID 82317464

IUPAC3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid
SMILESCc1cc(N(CCC(=O)O)Cc2ccccc2F)no1
InChIInChI=1S/C14H15FN2O3/c1-10-8-13(16-20-10)17(7-6-14(18)19)9-11-4-2-3-5-12(11)15/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyXMHRWPUXVVIIIM-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.60
Rot. Bonds6

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

3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid (PubChem CID 82317464) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid
PubChem CID82317464
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid
SMILESCc1cc(N(CCC(=O)O)Cc2ccccc2F)no1
InChIInChI=1S/C14H15FN2O3/c1-10-8-13(16-20-10)17(7-6-14(18)19)9-11-4-2-3-5-12(11)15/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyXMHRWPUXVVIIIM-UHFFFAOYSA-N
XLogP2.60
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-[(2-fluorophenyl)methyl]-2,6-dimethylanilino]propanoic acid
CID 82317455
3-[[2-carboxyethyl-(5-methyl-1,2-oxazol-3-yl)amino]methyl]benzoic acid
CID 82317521
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113119233
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113181770
3-[(2-fluorophenyl)methyl-(1,3,4-thiadiazol-2-yl)amino]propanoic acid
CID 82309753
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
3-[(2-fluorophenyl)methyl-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoic acid
CID 82309755
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113121052
3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid
CID 82320899
3-(2-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614533
N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147393

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid?
The IUPAC name of 3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid (CID 82317464) is 3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid is Cc1cc(N(CCC(=O)O)Cc2ccccc2F)no1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid?
The InChIKey is XMHRWPUXVVIIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-10-8-13(16-20-10)17(7-6-14(18)19)9-11-4-2-3-5-12(11)15/h2-5,8H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid?
3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid has a molecular weight of 278.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid is sourced from PubChem (CID 82317464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).