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

C10H14F3N3O2 — CID 79954881

IUPACN-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O2/c1-14-7-5-17-4-6(7)9-15-8(16-18-9)2-3-10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyJOWYJIREGTUHBR-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.27
Rot. Bonds4

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

N-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 79954881) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID79954881
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O2/c1-14-7-5-17-4-6(7)9-15-8(16-18-9)2-3-10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyJOWYJIREGTUHBR-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-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 79954881) is N-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CNC1COCC1c1nc(CCC(F)(F)F)no1.
What is the InChIKey of N-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is JOWYJIREGTUHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-14-7-5-17-4-6(7)9-15-8(16-18-9)2-3-10(11,12)13/h6-7,14H,2-5H2,1H3.
What are the key properties of N-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-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 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 79954881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).