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

C22H24ClN3O3 — CID 120943363

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCC3CNCC3O)o2)cc1.Cl
InChIInChI=1S/C22H23N3O3.ClH/c1-14-6-8-15(9-7-14)20-13-25-22(28-20)18-5-3-2-4-17(18)21(27)24-11-16-10-23-12-19(16)26;/h2-9,13,16,19,23,26H,10-12H2,1H3,(H,24,27);1H
InChIKeyKDIBVAFPIVOIFB-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.05
Rot. Bonds5

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride (PubChem CID 120943363) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
PubChem CID120943363
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCC3CNCC3O)o2)cc1.Cl
InChIInChI=1S/C22H23N3O3.ClH/c1-14-6-8-15(9-7-14)20-13-25-22(28-20)18-5-3-2-4-17(18)21(27)24-11-16-10-23-12-19(16)26;/h2-9,13,16,19,23,26H,10-12H2,1H3,(H,24,27);1H
InChIKeyKDIBVAFPIVOIFB-UHFFFAOYSA-N
XLogP3.05
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512405
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-hydroxypyrrolidin-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 120947540
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-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 119476886
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-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 60604982
N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78818005

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride (CID 120943363) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride is Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCC3CNCC3O)o2)cc1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride?
The InChIKey is KDIBVAFPIVOIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.ClH/c1-14-6-8-15(9-7-14)20-13-25-22(28-20)18-5-3-2-4-17(18)21(27)24-11-16-10-23-12-19(16)26;/h2-9,13,16,19,23,26H,10-12H2,1H3,(H,24,27);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 120943363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).