[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride

C20H20ClN3O2 — CID 120864049

IUPAC[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)c2ccccc2-c2nc(C3(N)CCC3)no2)cc1.Cl
InChIInChI=1S/C20H19N3O2.ClH/c1-13-7-9-14(10-8-13)17(24)15-5-2-3-6-16(15)18-22-19(23-25-18)20(21)11-4-12-20;/h2-3,5-10H,4,11-12,21H2,1H3;1H
InChIKeyJZDGBVBBYGVHPO-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.04
Rot. Bonds4

About [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride

[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride (PubChem CID 120864049) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride
PubChem CID120864049
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride
SMILESCc1ccc(C(=O)c2ccccc2-c2nc(C3(N)CCC3)no2)cc1.Cl
InChIInChI=1S/C20H19N3O2.ClH/c1-13-7-9-14(10-8-13)17(24)15-5-2-3-6-16(15)18-22-19(23-25-18)20(21)11-4-12-20;/h2-3,5-10H,4,11-12,21H2,1H3;1H
InChIKeyJZDGBVBBYGVHPO-UHFFFAOYSA-N
XLogP4.04
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2,5-dimethylphenyl)methanone;hydrochloride
CID 120858811
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
1-[5-[2-(2-methylphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859836
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride
CID 120860575
1-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861719
1-[5-(5-methyl-2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862317
(4-methylphenyl)-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 8895567
1-[5-(4-methoxynaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862773
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859634

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride?
The IUPAC name of [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride (CID 120864049) is [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride?
The canonical SMILES for [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride is Cc1ccc(C(=O)c2ccccc2-c2nc(C3(N)CCC3)no2)cc1.Cl.
What is the InChIKey of [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride?
The InChIKey is JZDGBVBBYGVHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2.ClH/c1-13-7-9-14(10-8-13)17(24)15-5-2-3-6-16(15)18-22-19(23-25-18)20(21)11-4-12-20;/h2-3,5-10H,4,11-12,21H2,1H3;1H.
What are the key properties of [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride?
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride is sourced from PubChem (CID 120864049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).