N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C11H20ClN3O — CID 120869537

IUPACN-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(C(C)=C(C)C)n1.Cl
InChIInChI=1S/C11H19N3O.ClH/c1-7(2)9(4)11-13-10(14-15-11)6-8(3)12-5;/h8,12H,6H2,1-5H3;1H
InChIKeyXTQVCEIRRYLANP-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 120869537) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID120869537
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC NameN-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(C(C)=C(C)C)n1.Cl
InChIInChI=1S/C11H19N3O.ClH/c1-7(2)9(4)11-13-10(14-15-11)6-8(3)12-5;/h8,12H,6H2,1-5H3;1H
InChIKeyXTQVCEIRRYLANP-UHFFFAOYSA-N
XLogP2.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 120867431
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866179
N-methyl-1-[5-(4-methyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 137076810
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
CID 130009449
N-methyl-1-[5-(3-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120868338
N-methyl-1-[5-[methylsulfanyl(phenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869477
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
1-[5-[1-(5-bromothiophen-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865332
1-[5-[difluoro-(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866605
N-methyl-1-[5-(1-phenylsulfanylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868307
1-[5-(2-iodo-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867055

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 120869537) is N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CNC(C)Cc1noc(C(C)=C(C)C)n1.Cl.
What is the InChIKey of N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is XTQVCEIRRYLANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O.ClH/c1-7(2)9(4)11-13-10(14-15-11)6-8(3)12-5;/h8,12H,6H2,1-5H3;1H.
What are the key properties of N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120869537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).