1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride

C13H18ClN3O — CID 120866958

IUPAC1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(Cc2ccccc2)n1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-10(14-2)8-12-15-13(17-16-12)9-11-6-4-3-5-7-11;/h3-7,10,14H,8-9H2,1-2H3;1H
InChIKeyKCUWYSRMEASLCV-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.23
Rot. Bonds5

About 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride

1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride (PubChem CID 120866958) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
PubChem CID120866958
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(Cc2ccccc2)n1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-10(14-2)8-12-15-13(17-16-12)9-11-6-4-3-5-7-11;/h3-7,10,14H,8-9H2,1-2H3;1H
InChIKeyKCUWYSRMEASLCV-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
1-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115078997
1-[5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866815
N-methyl-1-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65143603
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
5-benzyl-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 56648390
N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide;hydrochloride
CID 120867875
1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868535
1-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120864881
N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120864901
N-methyl-1-[5-[methylsulfanyl(phenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869477
N-methyl-1-phenylpropan-2-amine
CID 118309477

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride (CID 120866958) is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1noc(Cc2ccccc2)n1.Cl.
What is the InChIKey of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride?
The InChIKey is KCUWYSRMEASLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-10(14-2)8-12-15-13(17-16-12)9-11-6-4-3-5-7-11;/h3-7,10,14H,8-9H2,1-2H3;1H.
What are the key properties of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride?
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120866958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).