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

C15H25N3O2 — CID 80681119

IUPACN-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C15H25N3O2/c1-15(9-5-6-10-19-15)14-17-13(20-18-14)11-7-3-4-8-12(11)16-2/h11-12,16H,3-10H2,1-2H3
InChIKeyYLKAQNOAYOWRLM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.73
Rot. Bonds3

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

N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 80681119) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID80681119
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C15H25N3O2/c1-15(9-5-6-10-19-15)14-17-13(20-18-14)11-7-3-4-8-12(11)16-2/h11-12,16H,3-10H2,1-2H3
InChIKeyYLKAQNOAYOWRLM-UHFFFAOYSA-N
XLogP2.73
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 80681119) is N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CNC1CCCCC1c1nc(C2(C)CCCCO2)no1.
What is the InChIKey of N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is YLKAQNOAYOWRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(9-5-6-10-19-15)14-17-13(20-18-14)11-7-3-4-8-12(11)16-2/h11-12,16H,3-10H2,1-2H3.
What are the key properties of N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 80681119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).