2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C23H27ClN4O2 — CID 119447193

IUPAC2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCCN3CCNCC3)o2)cc1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-17-6-8-18(9-7-17)21-16-26-23(29-21)20-5-3-2-4-19(20)22(28)25-12-15-27-13-10-24-11-14-27;/h2-9,16,24H,10-15H2,1H3,(H,25,28);1H
InChIKeyQYLPHDLRQAYNIY-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.37
Rot. Bonds6

About 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119447193) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119447193
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCCN3CCNCC3)o2)cc1.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-17-6-8-18(9-7-17)21-16-26-23(29-21)20-5-3-2-4-19(20)22(28)25-12-15-27-13-10-24-11-14-27;/h2-9,16,24H,10-15H2,1H3,(H,25,28);1H
InChIKeyQYLPHDLRQAYNIY-UHFFFAOYSA-N
XLogP3.37
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 60604982
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 120943363
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512405
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78818005
tert-butyl 4-[3-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]propyl]piperazine-1-carboxylate
CID 55867174
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
3-fluoro-4-methyl-N-[2-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]ethyl]benzamide
CID 35351495
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 30888636

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119447193) is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCCN3CCNCC3)o2)cc1.Cl.
What is the InChIKey of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is QYLPHDLRQAYNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.ClH/c1-17-6-8-18(9-7-17)21-16-26-23(29-21)20-5-3-2-4-19(20)22(28)25-12-15-27-13-10-24-11-14-27;/h2-9,16,24H,10-15H2,1H3,(H,25,28);1H.
What are the key properties of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 426.95 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119447193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).