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

C12H20ClN3O2 — CID 120857083

IUPAC1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(COCC3CC3)n2)CCCC1
InChIInChI=1S/C12H19N3O2.ClH/c13-12(5-1-2-6-12)11-14-10(17-15-11)8-16-7-9-3-4-9;/h9H,1-8,13H2;1H
InChIKeyXRGJQGNMNXOZDA-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.15
Rot. Bonds5

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

1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120857083) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120857083
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(COCC3CC3)n2)CCCC1
InChIInChI=1S/C12H19N3O2.ClH/c13-12(5-1-2-6-12)11-14-10(17-15-11)8-16-7-9-3-4-9;/h9H,1-8,13H2;1H
InChIKeyXRGJQGNMNXOZDA-UHFFFAOYSA-N
XLogP2.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857084
1-[5-(cyclohexyloxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854290
1-[5-(prop-2-enoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857122
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 103211739
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-[5-(2-phenylethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857233
1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353321
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
CID 120854814
1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65159466
1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857455
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120857083) is 1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(COCC3CC3)n2)CCCC1.
What is the InChIKey of 1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is XRGJQGNMNXOZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c13-12(5-1-2-6-12)11-14-10(17-15-11)8-16-7-9-3-4-9;/h9H,1-8,13H2;1H.
What are the key properties of 1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120857083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).