1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C12H20F3N3O2 — CID 79965217

IUPAC1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCCNC(COC)Cc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O2/c1-3-6-16-9(8-19-2)7-11-17-10(18-20-11)4-5-12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeySWIUBVWMQOONDD-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.12
Rot. Bonds9

About 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 79965217) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID79965217
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCCNC(COC)Cc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O2/c1-3-6-16-9(8-19-2)7-11-17-10(18-20-11)4-5-12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeySWIUBVWMQOONDD-UHFFFAOYSA-N
XLogP2.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 79965217) is 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCCNC(COC)Cc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is SWIUBVWMQOONDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-3-6-16-9(8-19-2)7-11-17-10(18-20-11)4-5-12(13,14)15/h9,16H,3-8H2,1-2H3.
What are the key properties of 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 295.31 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 79965217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).