2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C7H9F3N4O2 — CID 106396839

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1ncon1)C(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c1-6(11,7(8,9)10)5(15)12-2-4-13-3-16-14-4/h3H,2,11H2,1H3,(H,12,15)
InChIKeyHNLICPMESDIKLN-UHFFFAOYSA-N
MW238.17 g/mol
LogP-0.03
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106396839) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106396839
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1ncon1)C(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c1-6(11,7(8,9)10)5(15)12-2-4-13-3-16-14-4/h3H,2,11H2,1H3,(H,12,15)
InChIKeyHNLICPMESDIKLN-UHFFFAOYSA-N
XLogP-0.03
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106396839) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(N)(C(=O)NCc1ncon1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is HNLICPMESDIKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c1-6(11,7(8,9)10)5(15)12-2-4-13-3-16-14-4/h3H,2,11H2,1H3,(H,12,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 238.17 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106396839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).