N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine

C19H28N2O — CID 56669352

IUPACN-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1coc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H28N2O/c1-18(2,3)13-20-11-16-12-22-17(21-16)14-7-9-15(10-8-14)19(4,5)6/h7-10,12,20H,11,13H2,1-6H3
InChIKeyNGRZZOSYJUKQAS-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.77
Rot. Bonds4

About N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine

N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine (PubChem CID 56669352) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
PubChem CID56669352
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1coc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H28N2O/c1-18(2,3)13-20-11-16-12-22-17(21-16)14-7-9-15(10-8-14)19(4,5)6/h7-10,12,20H,11,13H2,1-6H3
InChIKeyNGRZZOSYJUKQAS-UHFFFAOYSA-N
XLogP4.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56661942
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 56682809
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956
4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile
CID 65288463
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56672439
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288202
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288509
N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine (CID 56669352) is N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCc1coc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is NGRZZOSYJUKQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-18(2,3)13-20-11-16-12-22-17(21-16)14-7-9-15(10-8-14)19(4,5)6/h7-10,12,20H,11,13H2,1-6H3.
What are the key properties of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine?
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 300.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 56669352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).