2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C8H11F3N4O2 — CID 54961843

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1noc(CNCC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-5-14-7(17-15-5)3-12-2-6(16)13-4-8(9,10)11/h12H,2-4H2,1H3,(H,13,16)
InChIKeyMMLQEOVCCVZCOY-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.15
Rot. Bonds5

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54961843) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54961843
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1noc(CNCC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c1-5-14-7(17-15-5)3-12-2-6(16)13-4-8(9,10)11/h12H,2-4H2,1H3,(H,13,16)
InChIKeyMMLQEOVCCVZCOY-UHFFFAOYSA-N
XLogP0.15
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 54961843) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1noc(CNCC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MMLQEOVCCVZCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-5-14-7(17-15-5)3-12-2-6(16)13-4-8(9,10)11/h12H,2-4H2,1H3,(H,13,16).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.20 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54961843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).