[4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

C19H22ClN3O3 — CID 120893106

IUPAC[4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCOc1cccc(COC(C)c2nc(-c3ccc(CN)cc3)no2)c1.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-13(24-12-15-4-3-5-17(10-15)23-2)19-21-18(22-25-19)16-8-6-14(11-20)7-9-16;/h3-10,13H,11-12,20H2,1-2H3;1H
InChIKeyBJLXNETZIBLMGU-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.90
Rot. Bonds7

About [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

[4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (PubChem CID 120893106) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
PubChem CID120893106
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name[4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCOc1cccc(COC(C)c2nc(-c3ccc(CN)cc3)no2)c1.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-13(24-12-15-4-3-5-17(10-15)23-2)19-21-18(22-25-19)16-8-6-14(11-20)7-9-16;/h3-10,13H,11-12,20H2,1-2H3;1H
InChIKeyBJLXNETZIBLMGU-UHFFFAOYSA-N
XLogP3.90
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62627840
1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine
CID 120893373
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 7385204
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
2-amino-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167737
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685787
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895376

Frequently Asked Questions

What is the IUPAC name of [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (CID 120893106) is [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is COc1cccc(COC(C)c2nc(-c3ccc(CN)cc3)no2)c1.Cl.
What is the InChIKey of [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The InChIKey is BJLXNETZIBLMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.ClH/c1-13(24-12-15-4-3-5-17(10-15)23-2)19-21-18(22-25-19)16-8-6-14(11-20)7-9-16;/h3-10,13H,11-12,20H2,1-2H3;1H.
What are the key properties of [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
[4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[1-[(3-methoxyphenyl)methoxy]ethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 120893106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).