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

C19H24FN3O4 — CID 122019137

IUPAC3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)NCCC(=O)O
InChIInChI=1S/C19H24FN3O4/c1-23(19(26)21-10-9-18(24)25)11-4-2-3-8-16-13-17(22-27-16)14-6-5-7-15(20)12-14/h5-7,12-13H,2-4,8-11H2,1H3,(H,21,26)(H,24,25)
InChIKeyNJIOWSGFKHNGJG-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.31
Rot. Bonds10

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

3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid (PubChem CID 122019137) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
PubChem CID122019137
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)NCCC(=O)O
InChIInChI=1S/C19H24FN3O4/c1-23(19(26)21-10-9-18(24)25)11-4-2-3-8-16-13-17(22-27-16)14-6-5-7-15(20)12-14/h5-7,12-13H,2-4,8-11H2,1H3,(H,21,26)(H,24,25)
InChIKeyNJIOWSGFKHNGJG-UHFFFAOYSA-N
XLogP3.31
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid (CID 122019137) is 3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid is CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid?
The InChIKey is NJIOWSGFKHNGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-23(19(26)21-10-9-18(24)25)11-4-2-3-8-16-13-17(22-27-16)14-6-5-7-15(20)12-14/h5-7,12-13H,2-4,8-11H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid?
3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid has a molecular weight of 377.42 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122019137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).