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

C10H16F3N3O2 — CID 104880604

IUPACN-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O2/c1-7(2)14-4-3-9-15-8(16-18-9)5-17-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyYCWCZAFUTYOLAI-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.69
Rot. Bonds7

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

N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (PubChem CID 104880604) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
PubChem CID104880604
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O2/c1-7(2)14-4-3-9-15-8(16-18-9)5-17-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyYCWCZAFUTYOLAI-UHFFFAOYSA-N
XLogP1.69
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine (CID 104880604) is N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is CC(C)NCCc1nc(COCC(F)(F)F)no1.
What is the InChIKey of N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is YCWCZAFUTYOLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-7(2)14-4-3-9-15-8(16-18-9)5-17-6-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine?
N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 267.25 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 104880604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).