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

C8H11F3N4O2 — CID 106396514

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)(N)C(F)(F)F)no1
InChIInChI=1S/C8H11F3N4O2/c1-4-14-5(15-17-4)3-13-6(16)7(2,12)8(9,10)11/h3,12H2,1-2H3,(H,13,16)
InChIKeyPUAYJMIMQPXACC-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.27
Rot. Bonds3

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

2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 106396514) 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID106396514
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)(N)C(F)(F)F)no1
InChIInChI=1S/C8H11F3N4O2/c1-4-14-5(15-17-4)3-13-6(16)7(2,12)8(9,10)11/h3,12H2,1-2H3,(H,13,16)
InChIKeyPUAYJMIMQPXACC-UHFFFAOYSA-N
XLogP0.27
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.27
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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 106396514) is 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is Cc1nc(CNC(=O)C(C)(N)C(F)(F)F)no1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is PUAYJMIMQPXACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-4-14-5(15-17-4)3-13-6(16)7(2,12)8(9,10)11/h3,12H2,1-2H3,(H,13,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 252.20 g/mol, XLogP of 0.27, 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 106396514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).