N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline

C23H28N2O — CID 58178338

IUPACN,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline
SMILESCCc1cc(-c2oncc2-c2ccc(N(C)C)cc2)cc(CC)c1CC
InChIInChI=1S/C23H28N2O/c1-6-16-13-19(14-17(7-2)21(16)8-3)23-22(15-24-26-23)18-9-11-20(12-10-18)25(4)5/h9-15H,6-8H2,1-5H3
InChIKeyLFXJYFHMWMZQKM-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.76
Rot. Bonds6

About N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline

N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline (PubChem CID 58178338) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline
PubChem CID58178338
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline
SMILESCCc1cc(-c2oncc2-c2ccc(N(C)C)cc2)cc(CC)c1CC
InChIInChI=1S/C23H28N2O/c1-6-16-13-19(14-17(7-2)21(16)8-3)23-22(15-24-26-23)18-9-11-20(12-10-18)25(4)5/h9-15H,6-8H2,1-5H3
InChIKeyLFXJYFHMWMZQKM-UHFFFAOYSA-N
XLogP5.76
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline (CID 58178338) is N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline is CCc1cc(-c2oncc2-c2ccc(N(C)C)cc2)cc(CC)c1CC.
What is the InChIKey of N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline?
The InChIKey is LFXJYFHMWMZQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-6-16-13-19(14-17(7-2)21(16)8-3)23-22(15-24-26-23)18-9-11-20(12-10-18)25(4)5/h9-15H,6-8H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline?
N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline has a molecular weight of 348.49 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(3,4,5-triethylphenyl)-1,2-oxazol-4-yl]aniline is sourced from PubChem (CID 58178338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).