2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol

C14H14N2O2 — CID 118211284

IUPAC2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol
SMILESCN(C)Cc1nc2cc(O)c3ccccc3c2o1
InChIInChI=1S/C14H14N2O2/c1-16(2)8-13-15-11-7-12(17)9-5-3-4-6-10(9)14(11)18-13/h3-7,17H,8H2,1-2H3
InChIKeyLZINTFPYDLKHHJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.75
Rot. Bonds2

About 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol

2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol (PubChem CID 118211284) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol
PubChem CID118211284
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol
SMILESCN(C)Cc1nc2cc(O)c3ccccc3c2o1
InChIInChI=1S/C14H14N2O2/c1-16(2)8-13-15-11-7-12(17)9-5-3-4-6-10(9)14(11)18-13/h3-7,17H,8H2,1-2H3
InChIKeyLZINTFPYDLKHHJ-UHFFFAOYSA-N
XLogP2.75
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Prinaberel
CID 656954
2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-5-ol
CID 9993627
5-Benzoxazolol, 2-(4-hydroxyphenyl)-
CID 135405741
7-Ethynyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135409723
2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol
CID 135409756
7-Ethyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135442585
2-(4-Hydroxy-phenyl)-7-isopropyl-benzooxazol-5-ol
CID 135442595
2-(6-Hydroxy-naphthalen-2-yl)-benzooxazol-5-ol
CID 135492380
2-(4-Hydroxy-phenyl)-7-vinyl-benzooxazol-5-ol
CID 135494488
7-Butyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135499774
2-(4-Hydroxy-phenyl)-7-propyl-benzooxazol-5-ol
CID 135519317
3-(5-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol
CID 135522274

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol?
The IUPAC name of 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol (CID 118211284) is 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol is CN(C)Cc1nc2cc(O)c3ccccc3c2o1.
What is the InChIKey of 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol?
The InChIKey is LZINTFPYDLKHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16(2)8-13-15-11-7-12(17)9-5-3-4-6-10(9)14(11)18-13/h3-7,17H,8H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol?
2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol has a molecular weight of 242.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]benzo[g][1,3]benzoxazol-5-ol is sourced from PubChem (CID 118211284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).