4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline

C23H28N2O2 — CID 68568181

IUPAC4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc2c(c1)C(C)(C)C1(/C=C/c3ccc(N(C)C)cc3)OCCN21
InChIInChI=1S/C23H28N2O2/c1-22(2)20-16-19(26-5)10-11-21(20)25-14-15-27-23(22,25)13-12-17-6-8-18(9-7-17)24(3)4/h6-13,16H,14-15H2,1-5H3/b13-12+
InChIKeyJPFRQUYUXWASJB-OUKQBFOZSA-N
MW364.49 g/mol
LogP4.30
Rot. Bonds4

About 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 68568181) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
PubChem CID68568181
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc2c(c1)C(C)(C)C1(/C=C/c3ccc(N(C)C)cc3)OCCN21
InChIInChI=1S/C23H28N2O2/c1-22(2)20-16-19(26-5)10-11-21(20)25-14-15-27-23(22,25)13-12-17-6-8-18(9-7-17)24(3)4/h6-13,16H,14-15H2,1-5H3/b13-12+
InChIKeyJPFRQUYUXWASJB-OUKQBFOZSA-N
XLogP4.30
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline (CID 68568181) is 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline is COc1ccc2c(c1)C(C)(C)C1(/C=C/c3ccc(N(C)C)cc3)OCCN21.
What is the InChIKey of 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is JPFRQUYUXWASJB-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-22(2)20-16-19(26-5)10-11-21(20)25-14-15-27-23(22,25)13-12-17-6-8-18(9-7-17)24(3)4/h6-13,16H,14-15H2,1-5H3/b13-12+.
What are the key properties of 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 364.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-methoxy-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 68568181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).