1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride

C15H26ClN3O — CID 71757439

IUPAC1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CC3CCCC3)n2)CCCCCC1
InChIInChI=1S/C15H25N3O.ClH/c16-15(9-5-1-2-6-10-15)14-17-13(19-18-14)11-12-7-3-4-8-12;/h12H,1-11,16H2;1H
InChIKeyJXNPTMFJSZDNFU-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.73
Rot. Bonds3

About 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride (PubChem CID 71757439) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
PubChem CID71757439
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(CC3CCCC3)n2)CCCCCC1
InChIInChI=1S/C15H25N3O.ClH/c16-15(9-5-1-2-6-10-15)14-17-13(19-18-14)11-12-7-3-4-8-12;/h12H,1-11,16H2;1H
InChIKeyJXNPTMFJSZDNFU-UHFFFAOYSA-N
XLogP3.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65159466
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018
1-[5-(cyclohexyloxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854290
1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352919
1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857083
1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857084
4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 83138229
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
CID 114458862
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride (CID 71757439) is 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride is Cl.NC1(c2noc(CC3CCCC3)n2)CCCCCC1.
What is the InChIKey of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride?
The InChIKey is JXNPTMFJSZDNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.ClH/c16-15(9-5-1-2-6-10-15)14-17-13(19-18-14)11-12-7-3-4-8-12;/h12H,1-11,16H2;1H.
What are the key properties of 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride?
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride is sourced from PubChem (CID 71757439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).