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

C10H12F3N3O3 — CID 79257934

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1nc(C2CC2)no1)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)5-16(4-8(17)18)3-7-14-9(15-19-7)6-1-2-6/h6H,1-5H2,(H,17,18)
InChIKeyWJLGPRSLUPWJKZ-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.40
Rot. Bonds6

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

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257934) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257934
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1nc(C2CC2)no1)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)5-16(4-8(17)18)3-7-14-9(15-19-7)6-1-2-6/h6H,1-5H2,(H,17,18)
InChIKeyWJLGPRSLUPWJKZ-UHFFFAOYSA-N
XLogP1.40
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257934) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(Cc1nc(C2CC2)no1)CC(F)(F)F.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WJLGPRSLUPWJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)5-16(4-8(17)18)3-7-14-9(15-19-7)6-1-2-6/h6H,1-5H2,(H,17,18).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 279.22 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).