N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine

C8H12F3N3O3 — CID 103476522

IUPACN-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O3/c1-15-3-2-12-7-13-6(14-17-7)4-16-5-8(9,10)11/h2-5H2,1H3,(H,12,13,14)
InChIKeySCQWQRDEZZPJQI-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.21
Rot. Bonds7

About N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine

N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 103476522) has the molecular formula C8H12F3N3O3 and a molecular weight of 255.20 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
PubChem CID103476522
Molecular FormulaC8H12F3N3O3
Molecular Weight255.20 g/mol
Exact Mass255.08
IUPAC NameN-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O3/c1-15-3-2-12-7-13-6(14-17-7)4-16-5-8(9,10)11/h2-5H2,1H3,(H,12,13,14)
InChIKeySCQWQRDEZZPJQI-UHFFFAOYSA-N
XLogP1.21
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
CID 103476514
3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594300
methyl 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 103473228
3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 62596316
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 104880637
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 103472622
(1S)-2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103472815
N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 62595972
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103472697
O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 103472753
2-methoxy-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 114144549
3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103476792

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine (CID 103476522) is N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(COCC(F)(F)F)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is SCQWQRDEZZPJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O3/c1-15-3-2-12-7-13-6(14-17-7)4-16-5-8(9,10)11/h2-5H2,1H3,(H,12,13,14).
What are the key properties of N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine?
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 255.20 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 103476522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).