2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C8H10F3N3O3 — CID 79258345

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nnc(CN(CC(=O)O)CC(F)(F)F)o1
InChIInChI=1S/C8H10F3N3O3/c1-5-12-13-6(17-5)2-14(3-7(15)16)4-8(9,10)11/h2-4H2,1H3,(H,15,16)
InChIKeyMNBWNXIVJSIIJD-UHFFFAOYSA-N
MW253.18 g/mol
LogP0.83
Rot. Bonds5

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258345) has the molecular formula C8H10F3N3O3 and a molecular weight of 253.18 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258345
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nnc(CN(CC(=O)O)CC(F)(F)F)o1
InChIInChI=1S/C8H10F3N3O3/c1-5-12-13-6(17-5)2-14(3-7(15)16)4-8(9,10)11/h2-4H2,1H3,(H,15,16)
InChIKeyMNBWNXIVJSIIJD-UHFFFAOYSA-N
XLogP0.83
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 56788633
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 75433500
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258925
2-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266099
N-ethyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 83959780
N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 83959781
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856874
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857824
2-[2,2-Difluoroethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 107485017
2-[2,2-Difluoroethyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 107485569
2-[(4-Methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 112721905
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methylamino]acetic acid
CID 43466220

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258345) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1nnc(CN(CC(=O)O)CC(F)(F)F)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is MNBWNXIVJSIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O3/c1-5-12-13-6(17-5)2-14(3-7(15)16)4-8(9,10)11/h2-4H2,1H3,(H,15,16).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 253.18 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).