1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine

C12H21N3O2 — CID 63347898

IUPAC1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc(C2CCCCC2)no1
InChIInChI=1S/C12H21N3O2/c1-16-8-10(13)7-11-14-12(15-17-11)9-5-3-2-4-6-9/h9-10H,2-8,13H2,1H3
InChIKeyRRCJCYWWZNAHOM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.63
Rot. Bonds5

About 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine

1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine (PubChem CID 63347898) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine
PubChem CID63347898
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc(C2CCCCC2)no1
InChIInChI=1S/C12H21N3O2/c1-16-8-10(13)7-11-14-12(15-17-11)9-5-3-2-4-6-9/h9-10H,2-8,13H2,1H3
InChIKeyRRCJCYWWZNAHOM-UHFFFAOYSA-N
XLogP1.63
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine (CID 63347898) is 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine is COCC(N)Cc1nc(C2CCCCC2)no1.
What is the InChIKey of 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine?
The InChIKey is RRCJCYWWZNAHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-16-8-10(13)7-11-14-12(15-17-11)9-5-3-2-4-6-9/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine?
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 63347898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).