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

C22H24ClN3O2 — CID 119512405

IUPAC2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCC3CCCN3)o2)cc1.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-15-8-10-16(11-9-15)20-14-25-22(27-20)19-7-3-2-6-18(19)21(26)24-13-17-5-4-12-23-17;/h2-3,6-11,14,17,23H,4-5,12-13H2,1H3,(H,24,26);1H
InChIKeyLMUITANNJQPOSI-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.22
Rot. Bonds5

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

2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119512405) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119512405
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCC3CCCN3)o2)cc1.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-15-8-10-16(11-9-15)20-14-25-22(27-20)19-7-3-2-6-18(19)21(26)24-13-17-5-4-12-23-17;/h2-3,6-11,14,17,23H,4-5,12-13H2,1H3,(H,24,26);1H
InChIKeyLMUITANNJQPOSI-UHFFFAOYSA-N
XLogP4.22
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 120943363
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447193
N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 119476886
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 60604982
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37481709
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78818005
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-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119512405) is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCC3CCCN3)o2)cc1.Cl.
What is the InChIKey of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is LMUITANNJQPOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.ClH/c1-15-8-10-16(11-9-15)20-14-25-22(27-20)19-7-3-2-6-18(19)21(26)24-13-17-5-4-12-23-17;/h2-3,6-11,14,17,23H,4-5,12-13H2,1H3,(H,24,26);1H.
What are the key properties of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119512405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).