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

C9H12F3N3O3 — CID 79258925

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1nnc(CN(CC(=O)O)CC(F)(F)F)o1
InChIInChI=1S/C9H12F3N3O3/c1-2-6-13-14-7(18-6)3-15(4-8(16)17)5-9(10,11)12/h2-5H2,1H3,(H,16,17)
InChIKeyDDWRDWPWMRQTNV-UHFFFAOYSA-N
MW267.21 g/mol
LogP1.08
Rot. Bonds6

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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258925) has the molecular formula C9H12F3N3O3 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258925
Molecular FormulaC9H12F3N3O3
Molecular Weight267.21 g/mol
Exact Mass267.08
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1nnc(CN(CC(=O)O)CC(F)(F)F)o1
InChIInChI=1S/C9H12F3N3O3/c1-2-6-13-14-7(18-6)3-15(4-8(16)17)5-9(10,11)12/h2-5H2,1H3,(H,16,17)
InChIKeyDDWRDWPWMRQTNV-UHFFFAOYSA-N
XLogP1.08
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258925) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCc1nnc(CN(CC(=O)O)CC(F)(F)F)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DDWRDWPWMRQTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3/c1-2-6-13-14-7(18-6)3-15(4-8(16)17)5-9(10,11)12/h2-5H2,1H3,(H,16,17).
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 267.21 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).