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

C10H14F3N3O3 — CID 79258779

IUPAC2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCc1nc(CN(CC(=O)O)CC(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O3/c1-2-3-8-14-7(15-19-8)4-16(5-9(17)18)6-10(11,12)13/h2-6H2,1H3,(H,17,18)
InChIKeyTWECQOPANINWRL-UHFFFAOYSA-N
MW281.23 g/mol
LogP1.47
Rot. Bonds7

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

2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258779) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258779
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCc1nc(CN(CC(=O)O)CC(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O3/c1-2-3-8-14-7(15-19-8)4-16(5-9(17)18)6-10(11,12)13/h2-6H2,1H3,(H,17,18)
InChIKeyTWECQOPANINWRL-UHFFFAOYSA-N
XLogP1.47
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258779) is 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCCc1nc(CN(CC(=O)O)CC(F)(F)F)no1.
What is the InChIKey of 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is TWECQOPANINWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-2-3-8-14-7(15-19-8)4-16(5-9(17)18)6-10(11,12)13/h2-6H2,1H3,(H,17,18).
What are the key properties of 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 281.23 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).