4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline

C15H16N2O — CID 2806697

IUPAC4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2Nc3ccccc3O2)cc1
InChIInChI=1S/C15H16N2O/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10,15-16H,1-2H3
InChIKeyYYNNQVWQBKQUGS-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.26
Rot. Bonds2

About 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline

4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline (PubChem CID 2806697) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
PubChem CID2806697
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2Nc3ccccc3O2)cc1
InChIInChI=1S/C15H16N2O/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10,15-16H,1-2H3
InChIKeyYYNNQVWQBKQUGS-UHFFFAOYSA-N
XLogP3.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline (CID 2806697) is 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2Nc3ccccc3O2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline?
The InChIKey is YYNNQVWQBKQUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10,15-16H,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline?
4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline has a molecular weight of 240.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 2806697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).