3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride

C20H23ClN4O2 — CID 120869013

IUPAC3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccccc2NC(=O)c2cccc(C)c2)n1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-13-7-6-8-15(11-13)19(25)22-17-10-5-4-9-16(17)20-23-18(24-26-20)12-14(2)21-3;/h4-11,14,21H,12H2,1-3H3,(H,22,25);1H
InChIKeyOCYDTSPAVOPQQB-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.87
Rot. Bonds6

About 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride

3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride (PubChem CID 120869013) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
PubChem CID120869013
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccccc2NC(=O)c2cccc(C)c2)n1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-13-7-6-8-15(11-13)19(25)22-17-10-5-4-9-16(17)20-23-18(24-26-20)12-14(2)21-3;/h4-11,14,21H,12H2,1-3H3,(H,22,25);1H
InChIKeyOCYDTSPAVOPQQB-UHFFFAOYSA-N
XLogP3.87
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329065
(2,5-dimethylphenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone;hydrochloride
CID 120865027
(2,5-dimethylphenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 120865028
1-[5-(2-iodo-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867055
N-[2-(methylamino)propyl]-2-[(3-methylbenzoyl)amino]benzamide;hydrochloride
CID 120827166
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329032
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067
3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507964
1-[5-(3-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866559
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586
3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330712
2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride (CID 120869013) is 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride is CNC(C)Cc1noc(-c2ccccc2NC(=O)c2cccc(C)c2)n1.Cl.
What is the InChIKey of 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride?
The InChIKey is OCYDTSPAVOPQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-13-7-6-8-15(11-13)19(25)22-17-10-5-4-9-16(17)20-23-18(24-26-20)12-14(2)21-3;/h4-11,14,21H,12H2,1-3H3,(H,22,25);1H.
What are the key properties of 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride?
3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 120869013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).