N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride

C18H20ClN3O — CID 171326059

IUPACN-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
SMILESCc1ccc(-c2nnc(CN(C)Cc3ccccc3)o2)cc1.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-14-8-10-16(11-9-14)18-20-19-17(22-18)13-21(2)12-15-6-4-3-5-7-15;/h3-11H,12-13H2,1-2H3;1H
InChIKeyCLLSIEXIVDAVMA-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.10
Rot. Bonds5

About N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride

N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 171326059) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
PubChem CID171326059
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
SMILESCc1ccc(-c2nnc(CN(C)Cc3ccccc3)o2)cc1.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-14-8-10-16(11-9-14)18-20-19-17(22-18)13-21(2)12-15-6-4-3-5-7-15;/h3-11H,12-13H2,1-2H3;1H
InChIKeyCLLSIEXIVDAVMA-UHFFFAOYSA-N
XLogP4.10
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 33182726
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 2982833
2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463592
N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 78822942
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 171907211
1-(4-ethoxyphenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 34689783
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 56542746
6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56719204

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride (CID 171326059) is N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride is Cc1ccc(-c2nnc(CN(C)Cc3ccccc3)o2)cc1.Cl.
What is the InChIKey of N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is CLLSIEXIVDAVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.ClH/c1-14-8-10-16(11-9-14)18-20-19-17(22-18)13-21(2)12-15-6-4-3-5-7-15;/h3-11H,12-13H2,1-2H3;1H.
What are the key properties of N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride?
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 171326059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).