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

C20H21ClN4O2 — CID 120863605

IUPACN-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride
SMILESCc1ccc(-c2nc(C3(N)CCC3)no2)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C20H20N4O2.ClH/c1-13-8-9-15(18-23-19(24-26-18)20(21)10-5-11-20)12-16(13)22-17(25)14-6-3-2-4-7-14;/h2-4,6-9,12H,5,10-11,21H2,1H3,(H,22,25);1H
InChIKeyJEWVLTBZEWRHDT-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.06
Rot. Bonds4

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

N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride (PubChem CID 120863605) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride
PubChem CID120863605
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride
SMILESCc1ccc(-c2nc(C3(N)CCC3)no2)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C20H20N4O2.ClH/c1-13-8-9-15(18-23-19(24-26-18)20(21)10-5-11-20)12-16(13)22-17(25)14-6-3-2-4-7-14;/h2-4,6-9,12H,5,10-11,21H2,1H3,(H,22,25);1H
InChIKeyJEWVLTBZEWRHDT-UHFFFAOYSA-N
XLogP4.06
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]methanesulfonamide
CID 120862980
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-3-methylbutanamide
CID 120857416
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride
CID 120860575
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide
CID 120852599
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)benzenesulfonamide
CID 120851063
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide
CID 120862262
N-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-fluorophenyl]-3-methylbutanamide;hydrochloride
CID 120860719

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride?
The IUPAC name of N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride (CID 120863605) is N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride?
The canonical SMILES for N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride is Cc1ccc(-c2nc(C3(N)CCC3)no2)cc1NC(=O)c1ccccc1.Cl.
What is the InChIKey of N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride?
The InChIKey is JEWVLTBZEWRHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.ClH/c1-13-8-9-15(18-23-19(24-26-18)20(21)10-5-11-20)12-16(13)22-17(25)14-6-3-2-4-7-14;/h2-4,6-9,12H,5,10-11,21H2,1H3,(H,22,25);1H.
What are the key properties of N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride?
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride is sourced from PubChem (CID 120863605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).