4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline

C23H28N2O2 — CID 515988

IUPAC4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline
SMILESCc1cc(CCCOc2c(C)cc(-c3ccc(N(C)C)cc3)cc2C)on1
InChIInChI=1S/C23H28N2O2/c1-16-13-20(19-8-10-21(11-9-19)25(4)5)14-17(2)23(16)26-12-6-7-22-15-18(3)24-27-22/h8-11,13-15H,6-7,12H2,1-5H3
InChIKeyUSAFZFPFFJBHGT-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.34
Rot. Bonds7

About 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline

4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline (PubChem CID 515988) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline
PubChem CID515988
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline
SMILESCc1cc(CCCOc2c(C)cc(-c3ccc(N(C)C)cc3)cc2C)on1
InChIInChI=1S/C23H28N2O2/c1-16-13-20(19-8-10-21(11-9-19)25(4)5)14-17(2)23(16)26-12-6-7-22-15-18(3)24-27-22/h8-11,13-15H,6-7,12H2,1-5H3
InChIKeyUSAFZFPFFJBHGT-UHFFFAOYSA-N
XLogP5.34
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline (CID 515988) is 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline is Cc1cc(CCCOc2c(C)cc(-c3ccc(N(C)C)cc3)cc2C)on1.
What is the InChIKey of 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline?
The InChIKey is USAFZFPFFJBHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-13-20(19-8-10-21(11-9-19)25(4)5)14-17(2)23(16)26-12-6-7-22-15-18(3)24-27-22/h8-11,13-15H,6-7,12H2,1-5H3.
What are the key properties of 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline?
4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline has a molecular weight of 364.49 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 515988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).