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

C23H28N2O3 — CID 56682809

IUPACN-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2coc(-c3ccc(C(C)(C)C)cc3)n2)c1OC
InChIInChI=1S/C23H28N2O3/c1-23(2,3)18-11-9-16(10-12-18)22-25-19(15-28-22)14-24-13-17-7-6-8-20(26-4)21(17)27-5/h6-12,15,24H,13-14H2,1-5H3
InChIKeyNNLUSOVFTKUPPY-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.95
Rot. Bonds7

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

N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine (PubChem CID 56682809) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
PubChem CID56682809
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2coc(-c3ccc(C(C)(C)C)cc3)n2)c1OC
InChIInChI=1S/C23H28N2O3/c1-23(2,3)18-11-9-16(10-12-18)22-25-19(15-28-22)14-24-13-17-7-6-8-20(26-4)21(17)27-5/h6-12,15,24H,13-14H2,1-5H3
InChIKeyNNLUSOVFTKUPPY-UHFFFAOYSA-N
XLogP4.95
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56661942
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553305
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
CID 56669352
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 119123449
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
CID 119125663
N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 56675613
N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56672340
1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56672439
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-(2,3-dimethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415154
2-(2,3-dimethoxyphenyl)-4-ethyl-1,3-oxazole
CID 144909946

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The IUPAC name of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine (CID 56682809) is N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine is COc1cccc(CNCc2coc(-c3ccc(C(C)(C)C)cc3)n2)c1OC.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The InChIKey is NNLUSOVFTKUPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)18-11-9-16(10-12-18)22-25-19(15-28-22)14-24-13-17-7-6-8-20(26-4)21(17)27-5/h6-12,15,24H,13-14H2,1-5H3.
What are the key properties of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine?
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine has a molecular weight of 380.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine is sourced from PubChem (CID 56682809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).