2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

C8H11F3N4O2 — CID 106397241

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(N)(C(=O)NCCc1ncno1)C(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-7(12,8(9,10)11)6(16)13-3-2-5-14-4-15-17-5/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyXXTZUYUQXSSKCW-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.01
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 106397241) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID106397241
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(N)(C(=O)NCCc1ncno1)C(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-7(12,8(9,10)11)6(16)13-3-2-5-14-4-15-17-5/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyXXTZUYUQXSSKCW-UHFFFAOYSA-N
XLogP0.01
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 82007868
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396514
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106396839
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106397609
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106399678
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399702
4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399868
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399946

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 106397241) is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(N)(C(=O)NCCc1ncno1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is XXTZUYUQXSSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-7(12,8(9,10)11)6(16)13-3-2-5-14-4-15-17-5/h4H,2-3,12H2,1H3,(H,13,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 252.20 g/mol, XLogP of 0.01, 4 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-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106397241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).