2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C14H23N3O2 — CID 83214627

IUPAC2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCC1(c2nc(C3CCOCC3)no2)CCCCC1N
InChIInChI=1S/C14H23N3O2/c1-14(7-3-2-4-11(14)15)13-16-12(17-19-13)10-5-8-18-9-6-10/h10-11H,2-9,15H2,1H3
InChIKeyFHQJMXOJTZLFCX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds2

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

2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 83214627) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID83214627
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCC1(c2nc(C3CCOCC3)no2)CCCCC1N
InChIInChI=1S/C14H23N3O2/c1-14(7-3-2-4-11(14)15)13-16-12(17-19-13)10-5-8-18-9-6-10/h10-11H,2-9,15H2,1H3
InChIKeyFHQJMXOJTZLFCX-UHFFFAOYSA-N
XLogP2.12
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 83214627) is 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CC1(c2nc(C3CCOCC3)no2)CCCCC1N.
What is the InChIKey of 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is FHQJMXOJTZLFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(7-3-2-4-11(14)15)13-16-12(17-19-13)10-5-8-18-9-6-10/h10-11H,2-9,15H2,1H3.
What are the key properties of 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 83214627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).