3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid

C17H17F3N2O4 — CID 84558170

IUPAC3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N2O4/c1-2-8-22(9-7-14(23)24)16(25)13-10-26-15(21-13)11-3-5-12(6-4-11)17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,23,24)
InChIKeyWFNJSHPMINKCEA-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.69
Rot. Bonds7

About 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid

3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid (PubChem CID 84558170) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
PubChem CID84558170
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N2O4/c1-2-8-22(9-7-14(23)24)16(25)13-10-26-15(21-13)11-3-5-12(6-4-11)17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,23,24)
InChIKeyWFNJSHPMINKCEA-UHFFFAOYSA-N
XLogP3.69
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid (CID 84558170) is 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid is CCCN(CCC(=O)O)C(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid?
The InChIKey is WFNJSHPMINKCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-2-8-22(9-7-14(23)24)16(25)13-10-26-15(21-13)11-3-5-12(6-4-11)17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,23,24).
What are the key properties of 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid?
3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid has a molecular weight of 370.33 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 84558170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).