5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide

C21H32N4O3 — CID 67459280

IUPAC5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)on1
InChIInChI=1S/C21H32N4O3/c1-6-24(7-2)19(26)16-12-18(28-23-16)17-14-25(20(22-17)21(3,4)5)13-15-8-10-27-11-9-15/h12,14-15H,6-11,13H2,1-5H3
InChIKeyLBEXCROEEYDKGU-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.74
Rot. Bonds6

About 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide

5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide (PubChem CID 67459280) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide
PubChem CID67459280
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)on1
InChIInChI=1S/C21H32N4O3/c1-6-24(7-2)19(26)16-12-18(28-23-16)17-14-25(20(22-17)21(3,4)5)13-15-8-10-27-11-9-15/h12,14-15H,6-11,13H2,1-5H3
InChIKeyLBEXCROEEYDKGU-UHFFFAOYSA-N
XLogP3.74
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

ethyl 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-1,2-oxazole-3-carboxylate
CID 67456293
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-ethyl-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 67456615
3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 67457801
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide
CID 67461504
4-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 87407869
2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
CID 67456732
2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine
CID 87407652
2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole
CID 67456897
1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine
CID 67457722
1-benzyl-5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridin-2-one
CID 67456859
2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide
CID 142973031
1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]-N-ethylpyrazole-3-carboxamide
CID 69348187

Frequently Asked Questions

What is the IUPAC name of 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide (CID 67459280) is 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide is CCN(CC)C(=O)c1cc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)on1.
What is the InChIKey of 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide?
The InChIKey is LBEXCROEEYDKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-6-24(7-2)19(26)16-12-18(28-23-16)17-14-25(20(22-17)21(3,4)5)13-15-8-10-27-11-9-15/h12,14-15H,6-11,13H2,1-5H3.
What are the key properties of 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide?
5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67459280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).