1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine

C13H21N3O2 — CID 64571421

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine
SMILESNC1(COCc2nc(C3CC3)no2)CCCCC1
InChIInChI=1S/C13H21N3O2/c14-13(6-2-1-3-7-13)9-17-8-11-15-12(16-18-11)10-4-5-10/h10H,1-9,14H2
InChIKeyQOCFRZPLOBJYTE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.13
Rot. Bonds5

About 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine (PubChem CID 64571421) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine
PubChem CID64571421
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine
SMILESNC1(COCc2nc(C3CC3)no2)CCCCC1
InChIInChI=1S/C13H21N3O2/c14-13(6-2-1-3-7-13)9-17-8-11-15-12(16-18-11)10-4-5-10/h10H,1-9,14H2
InChIKeyQOCFRZPLOBJYTE-UHFFFAOYSA-N
XLogP2.13
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine (CID 64571421) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine is NC1(COCc2nc(C3CC3)no2)CCCCC1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine?
The InChIKey is QOCFRZPLOBJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-13(6-2-1-3-7-13)9-17-8-11-15-12(16-18-11)10-4-5-10/h10H,1-9,14H2.
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 64571421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).