(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

C15H27N3O2 — CID 104899713

IUPAC(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCOC1(c2noc([C@H](N)C(C)(C)C)n2)CCCC(C)C1
InChIInChI=1S/C15H27N3O2/c1-10-7-6-8-15(9-10,19-5)13-17-12(20-18-13)11(16)14(2,3)4/h10-11H,6-9,16H2,1-5H3/t10?,11-,15?/m0/s1
InChIKeyGEZYJACHVUVHAG-VTWZXRTESA-N
MW281.40 g/mol
LogP3.17
Rot. Bonds3

About (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (PubChem CID 104899713) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
PubChem CID104899713
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCOC1(c2noc([C@H](N)C(C)(C)C)n2)CCCC(C)C1
InChIInChI=1S/C15H27N3O2/c1-10-7-6-8-15(9-10,19-5)13-17-12(20-18-13)11(16)14(2,3)4/h10-11H,6-9,16H2,1-5H3/t10?,11-,15?/m0/s1
InChIKeyGEZYJACHVUVHAG-VTWZXRTESA-N
XLogP3.17
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine with MolForge

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Related Compounds

(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780808
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781367
(1R)-1-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899717
3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116780435
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116742706
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116780819
3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780426
(1S)-1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900379
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116780823
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742762
cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116701306

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (CID 104899713) is (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is COC1(c2noc([C@H](N)C(C)(C)C)n2)CCCC(C)C1.
What is the InChIKey of (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is GEZYJACHVUVHAG-VTWZXRTESA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10-7-6-8-15(9-10,19-5)13-17-12(20-18-13)11(16)14(2,3)4/h10-11H,6-9,16H2,1-5H3/t10?,11-,15?/m0/s1.
What are the key properties of (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 104899713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).