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

C10H14F3N3O2 — CID 66247858

IUPACN-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(CC(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O2/c1-2-14-7-5-17-4-6(7)9-15-8(16-18-9)3-10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyOKHWDOUEXSOCAE-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.27
Rot. Bonds4

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

N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66247858) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66247858
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCCNC1COCC1c1nc(CC(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O2/c1-2-14-7-5-17-4-6(7)9-15-8(16-18-9)3-10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyOKHWDOUEXSOCAE-UHFFFAOYSA-N
XLogP1.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66247858) is N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CCNC1COCC1c1nc(CC(F)(F)F)no1.
What is the InChIKey of N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is OKHWDOUEXSOCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-14-7-5-17-4-6(7)9-15-8(16-18-9)3-10(11,12)13/h6-7,14H,2-5H2,1H3.
What are the key properties of N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 265.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66247858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).