4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C10H14F3N3O2 — CID 79955024

IUPAC4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCC1(c2nc(CCC(F)(F)F)no2)COCC1N
InChIInChI=1S/C10H14F3N3O2/c1-9(5-17-4-6(9)14)8-15-7(16-18-8)2-3-10(11,12)13/h6H,2-5,14H2,1H3
InChIKeySWPPJFSHELOZBI-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.18
Rot. Bonds3

About 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 79955024) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID79955024
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCC1(c2nc(CCC(F)(F)F)no2)COCC1N
InChIInChI=1S/C10H14F3N3O2/c1-9(5-17-4-6(9)14)8-15-7(16-18-8)2-3-10(11,12)13/h6H,2-5,14H2,1H3
InChIKeySWPPJFSHELOZBI-UHFFFAOYSA-N
XLogP1.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 79955024) is 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CC1(c2nc(CCC(F)(F)F)no2)COCC1N.
What is the InChIKey of 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is SWPPJFSHELOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-9(5-17-4-6(9)14)8-15-7(16-18-8)2-3-10(11,12)13/h6H,2-5,14H2,1H3.
What are the key properties of 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 265.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 79955024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).