[1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C16H23ClN4O2 — CID 120771767

IUPAC[1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2nc(CN3CCC(C)(CN)C3)no2)cc1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-16(10-17)7-8-20(11-16)9-14-18-15(22-19-14)12-3-5-13(21-2)6-4-12;/h3-6H,7-11,17H2,1-2H3;1H
InChIKeyTUNBLEIXUUHDEF-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.34
Rot. Bonds5

About [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120771767) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120771767
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name[1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2nc(CN3CCC(C)(CN)C3)no2)cc1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-16(10-17)7-8-20(11-16)9-14-18-15(22-19-14)12-3-5-13(21-2)6-4-12;/h3-6H,7-11,17H2,1-2H3;1H
InChIKeyTUNBLEIXUUHDEF-UHFFFAOYSA-N
XLogP2.34
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 111334093
[1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773467
[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773905
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[3-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120771845
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120967311
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773740
1-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42691863
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
[1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780941
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967312

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120771767) is [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is COc1ccc(-c2nc(CN3CCC(C)(CN)C3)no2)cc1.Cl.
What is the InChIKey of [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is TUNBLEIXUUHDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-16(10-17)7-8-20(11-16)9-14-18-15(22-19-14)12-3-5-13(21-2)6-4-12;/h3-6H,7-11,17H2,1-2H3;1H.
What are the key properties of [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120771767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).