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

C13H23N3O2 — CID 104636584

IUPAC2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1noc(C2CCCCCC2)n1
InChIInChI=1S/C13H23N3O2/c1-13(14,9-17-2)12-15-11(18-16-12)10-7-5-3-4-6-8-10/h10H,3-9,14H2,1-2H3
InChIKeyJAWMQFBZQHTRKF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.33
Rot. Bonds4

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

2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine (PubChem CID 104636584) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
PubChem CID104636584
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1noc(C2CCCCCC2)n1
InChIInChI=1S/C13H23N3O2/c1-13(14,9-17-2)12-15-11(18-16-12)10-7-5-3-4-6-8-10/h10H,3-9,14H2,1-2H3
InChIKeyJAWMQFBZQHTRKF-UHFFFAOYSA-N
XLogP2.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-2-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636466
2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-1-ethoxypropan-2-amine
CID 104636868
3-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)pentan-3-amine
CID 65021193
2-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637238
2-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 103166275
1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435692
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylhexan-2-amine
CID 43559704
2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62717760
2-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 114212439
2-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 107002985
1-methoxy-2-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636505
2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637182

Frequently Asked Questions

What is the IUPAC name of 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
The IUPAC name of 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine (CID 104636584) is 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine.
What is the SMILES notation for 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
The canonical SMILES for 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine is COCC(C)(N)c1noc(C2CCCCCC2)n1.
What is the InChIKey of 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
The InChIKey is JAWMQFBZQHTRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(14,9-17-2)12-15-11(18-16-12)10-7-5-3-4-6-8-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine?
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine is sourced from PubChem (CID 104636584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).