1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine

C12H21N3O2 — CID 63349480

IUPAC1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cc1nc(C2CCCC2)no1
InChIInChI=1S/C12H21N3O2/c1-13-10(8-16-2)7-11-14-12(15-17-11)9-5-3-4-6-9/h9-10,13H,3-8H2,1-2H3
InChIKeyWUNUYCWQCPYOQC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.50
Rot. Bonds6

About 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine

1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 63349480) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
PubChem CID63349480
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cc1nc(C2CCCC2)no1
InChIInChI=1S/C12H21N3O2/c1-13-10(8-16-2)7-11-14-12(15-17-11)9-5-3-4-6-9/h9-10,13H,3-8H2,1-2H3
InChIKeyWUNUYCWQCPYOQC-UHFFFAOYSA-N
XLogP1.50
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine (CID 63349480) is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)Cc1nc(C2CCCC2)no1.
What is the InChIKey of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is WUNUYCWQCPYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-10(8-16-2)7-11-14-12(15-17-11)9-5-3-4-6-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine?
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 63349480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).