N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

C23H25N3O3 — CID 30702962

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCC(=O)NC(C)(C)C)o2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-9-11-16(12-10-15)19-13-25-22(29-19)18-8-6-5-7-17(18)21(28)24-14-20(27)26-23(2,3)4/h5-13H,14H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyMITXMZUSDSCOSR-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 30702962) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID30702962
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCC(=O)NC(C)(C)C)o2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-9-11-16(12-10-15)19-13-25-22(29-19)18-8-6-5-7-17(18)21(28)24-14-20(27)26-23(2,3)4/h5-13H,14H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyMITXMZUSDSCOSR-UHFFFAOYSA-N
XLogP3.96
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N-tert-butyl-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501904
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 120943363
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512405
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 30888636
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447193
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
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37481709

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide (CID 30702962) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide is Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCC(=O)NC(C)(C)C)o2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is MITXMZUSDSCOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-9-11-16(12-10-15)19-13-25-22(29-19)18-8-6-5-7-17(18)21(28)24-14-20(27)26-23(2,3)4/h5-13H,14H2,1-4H3,(H,24,28)(H,26,27).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 30702962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).