2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid

C7H5F3N2O4 — CID 110834984

IUPAC2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1conc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O4/c8-7(9,10)5-3(2-16-12-5)6(15)11-1-4(13)14/h2H,1H2,(H,11,15)(H,13,14)
InChIKeyBJOYHCGDRBEXGP-UHFFFAOYSA-N
MW238.12 g/mol
LogP0.51
Rot. Bonds3

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

2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid (PubChem CID 110834984) has the molecular formula C7H5F3N2O4 and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid
PubChem CID110834984
Molecular FormulaC7H5F3N2O4
Molecular Weight238.12 g/mol
Exact Mass238.02
IUPAC Name2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1conc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O4/c8-7(9,10)5-3(2-16-12-5)6(15)11-1-4(13)14/h2H,1H2,(H,11,15)(H,13,14)
InChIKeyBJOYHCGDRBEXGP-UHFFFAOYSA-N
XLogP0.51
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
CID 110833087
1,4-Diazepan-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
CID 110833088
N-(2-aminoethyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 110833089
N-(2-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 110833090
N-(1-aminopropan-2-yl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 110833091
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 110833092
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 110833093
N-(3-aminopropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 110833094
2-Methyl-2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]propanoic acid
CID 110834981
2-[Methyl-[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid
CID 110834982
(2S)-2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]propanoic acid
CID 110834983
2-[[3-(Trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]butanoic acid
CID 110834985

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid (CID 110834984) is 2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1conc1C(F)(F)F.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid?
The InChIKey is BJOYHCGDRBEXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O4/c8-7(9,10)5-3(2-16-12-5)6(15)11-1-4(13)14/h2H,1H2,(H,11,15)(H,13,14).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid?
2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid has a molecular weight of 238.12 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2-oxazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 110834984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).