2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

C10H16F3N3O2 — CID 103211977

IUPAC2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O2/c1-9(2,3)14-4-7-15-16-8(18-7)5-17-6-10(11,12)13/h14H,4-6H2,1-3H3
InChIKeyIRGWSQVYCAOTQZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds5

About 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 103211977) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID103211977
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O2/c1-9(2,3)14-4-7-15-16-8(18-7)5-17-6-10(11,12)13/h14H,4-6H2,1-3H3
InChIKeyIRGWSQVYCAOTQZ-UHFFFAOYSA-N
XLogP2.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 103211977) is 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(COCC(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is IRGWSQVYCAOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-9(2,3)14-4-7-15-16-8(18-7)5-17-6-10(11,12)13/h14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 267.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 103211977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).