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

C15H20ClN7O — CID 120867772

IUPACN-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(C(C)n2nnc(-c3ccccc3)n2)n1.Cl
InChIInChI=1S/C15H19N7O.ClH/c1-10(16-3)9-13-17-15(23-20-13)11(2)22-19-14(18-21-22)12-7-5-4-6-8-12;/h4-8,10-11,16H,9H2,1-3H3;1H
InChIKeyZSXAEVSTGCEOLZ-UHFFFAOYSA-N
MW349.83 g/mol
LogP1.90
Rot. Bonds6

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

N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 120867772) has the molecular formula C15H20ClN7O and a molecular weight of 349.83 g/mol. Its IUPAC name is N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID120867772
Molecular FormulaC15H20ClN7O
Molecular Weight349.83 g/mol
Exact Mass349.14
IUPAC NameN-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(C(C)n2nnc(-c3ccccc3)n2)n1.Cl
InChIInChI=1S/C15H19N7O.ClH/c1-10(16-3)9-13-17-15(23-20-13)11(2)22-19-14(18-21-22)12-7-5-4-6-8-12;/h4-8,10-11,16H,9H2,1-3H3;1H
InChIKeyZSXAEVSTGCEOLZ-UHFFFAOYSA-N
XLogP1.90
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 38953858
5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 38877301
N-methyl-1-[5-[methylsulfanyl(phenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869477
1-[5-[[ethyl(methyl)amino]-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867041
N-methyl-1-[5-(1-phenylsulfanylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868307
N-methyl-1-[5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865123
N-methyl-1-[5-(1-methyl-5-phenylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868941
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868882
(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560493
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120868474
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 120867772) is N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CNC(C)Cc1noc(C(C)n2nnc(-c3ccccc3)n2)n1.Cl.
What is the InChIKey of N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is ZSXAEVSTGCEOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O.ClH/c1-10(16-3)9-13-17-15(23-20-13)11(2)22-19-14(18-21-22)12-7-5-4-6-8-12;/h4-8,10-11,16H,9H2,1-3H3;1H.
What are the key properties of N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 349.83 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120867772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).