2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid

C14H13F3N2O3 — CID 66636926

IUPAC2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C14H13F3N2O3/c1-13(2,11(20)21)8-3-5-9(6-4-8)18-12-19-10(7-22-12)14(15,16)17/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNPXFZZNQIGOOGE-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.80
Rot. Bonds4

About 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid

2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid (PubChem CID 66636926) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid
PubChem CID66636926
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C14H13F3N2O3/c1-13(2,11(20)21)8-3-5-9(6-4-8)18-12-19-10(7-22-12)14(15,16)17/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNPXFZZNQIGOOGE-UHFFFAOYSA-N
XLogP3.80
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid (CID 66636926) is 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(Nc2nc(C(F)(F)F)co2)cc1.
What is the InChIKey of 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid?
The InChIKey is NPXFZZNQIGOOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-13(2,11(20)21)8-3-5-9(6-4-8)18-12-19-10(7-22-12)14(15,16)17/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid?
2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid has a molecular weight of 314.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid is sourced from PubChem (CID 66636926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).