2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C15H23ClN4O2 — CID 119929443

IUPAC2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCOc1ccccc1CN(C)Cc1nc(C(C)(C)N)no1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-15(2,16)14-17-13(21-18-14)10-19(3)9-11-7-5-6-8-12(11)20-4;/h5-8H,9-10,16H2,1-4H3;1H
InChIKeyZOFPBUAHGFPYBO-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.33
Rot. Bonds6

About 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 119929443) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID119929443
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCOc1ccccc1CN(C)Cc1nc(C(C)(C)N)no1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-15(2,16)14-17-13(21-18-14)10-19(3)9-11-7-5-6-8-12(11)20-4;/h5-8H,9-10,16H2,1-4H3;1H
InChIKeyZOFPBUAHGFPYBO-UHFFFAOYSA-N
XLogP2.33
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride with MolForge

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Related Compounds

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 26511243
2-[5-[[(4-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119929523
N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226182
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoro-N-methylaniline;hydrochloride
CID 119930479
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336267
1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63013239
2-[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119930333
2-[5-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119932309
2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63236755
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride
CID 119929750
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine;hydrochloride
CID 47002453

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 119929443) is 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is COc1ccccc1CN(C)Cc1nc(C(C)(C)N)no1.Cl.
What is the InChIKey of 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is ZOFPBUAHGFPYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.ClH/c1-15(2,16)14-17-13(21-18-14)10-19(3)9-11-7-5-6-8-12(11)20-4;/h5-8H,9-10,16H2,1-4H3;1H.
What are the key properties of 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 119929443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).