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

C23H26ClN3O2 — CID 119476886

IUPACN-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCC(N)CC3)o2)cc1.Cl
InChIInChI=1S/C23H25N3O2.ClH/c1-15-6-8-16(9-7-15)21-14-25-23(28-21)20-5-3-2-4-19(20)22(27)26-18-12-10-17(24)11-13-18;/h2-9,14,17-18H,10-13,24H2,1H3,(H,26,27);1H
InChIKeyZCCSIQZJDUHILI-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.74
Rot. Bonds4

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

N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride (PubChem CID 119476886) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
PubChem CID119476886
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCC(N)CC3)o2)cc1.Cl
InChIInChI=1S/C23H25N3O2.ClH/c1-15-6-8-16(9-7-15)21-14-25-23(28-21)20-5-3-2-4-19(20)22(27)26-18-12-10-17(24)11-13-18;/h2-9,14,17-18H,10-13,24H2,1H3,(H,26,27);1H
InChIKeyZCCSIQZJDUHILI-UHFFFAOYSA-N
XLogP4.74
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
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2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100510592
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
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2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
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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
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2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
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(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride
CID 120819402
N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
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N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride (CID 119476886) is N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride is Cc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCC(N)CC3)o2)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride?
The InChIKey is ZCCSIQZJDUHILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.ClH/c1-15-6-8-16(9-7-15)21-14-25-23(28-21)20-5-3-2-4-19(20)22(27)26-18-12-10-17(24)11-13-18;/h2-9,14,17-18H,10-13,24H2,1H3,(H,26,27);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride?
N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119476886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).