N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride

C21H25ClN4O — CID 120893050

IUPACN-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride
SMILESCCN(Cc1ccc(-c2nc(-c3ccc(CN)cc3)no2)cc1)C1CC1.Cl
InChIInChI=1S/C21H24N4O.ClH/c1-2-25(19-11-12-19)14-16-5-9-18(10-6-16)21-23-20(24-26-21)17-7-3-15(13-22)4-8-17;/h3-10,19H,2,11-14,22H2,1H3;1H
InChIKeyWLBOVVGUUNXPKC-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.27
Rot. Bonds7

About N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride

N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride (PubChem CID 120893050) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride
PubChem CID120893050
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC NameN-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride
SMILESCCN(Cc1ccc(-c2nc(-c3ccc(CN)cc3)no2)cc1)C1CC1.Cl
InChIInChI=1S/C21H24N4O.ClH/c1-2-25(19-11-12-19)14-16-5-9-18(10-6-16)21-23-20(24-26-21)17-7-3-15(13-22)4-8-17;/h3-10,19H,2,11-14,22H2,1H3;1H
InChIKeyWLBOVVGUUNXPKC-UHFFFAOYSA-N
XLogP4.27
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
[4-[5-(4-cyclopentylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893086
[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120892380
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893278
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine;hydrochloride
CID 120750920
[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 62716479
N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine
CID 67265704
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 120892792
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 62422956
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
3-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N-dipropylbenzamide;hydrochloride
CID 120892680
[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892639

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride?
The IUPAC name of N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride (CID 120893050) is N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride.
What is the SMILES notation for N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride?
The canonical SMILES for N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride is CCN(Cc1ccc(-c2nc(-c3ccc(CN)cc3)no2)cc1)C1CC1.Cl.
What is the InChIKey of N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride?
The InChIKey is WLBOVVGUUNXPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O.ClH/c1-2-25(19-11-12-19)14-16-5-9-18(10-6-16)21-23-20(24-26-21)17-7-3-15(13-22)4-8-17;/h3-10,19H,2,11-14,22H2,1H3;1H.
What are the key properties of N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride?
N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-N-ethylcyclopropanamine;hydrochloride is sourced from PubChem (CID 120893050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).