2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol

C11H13N3O2 — CID 116799871

IUPAC2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCN(C)c1noc(Cc2ccccc2O)n1
InChIInChI=1S/C11H13N3O2/c1-14(2)11-12-10(16-13-11)7-8-5-3-4-6-9(8)15/h3-6,15H,7H2,1-2H3
InChIKeyNXCOQLMZYSHXQY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.43
Rot. Bonds3

About 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol

2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 116799871) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID116799871
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCN(C)c1noc(Cc2ccccc2O)n1
InChIInChI=1S/C11H13N3O2/c1-14(2)11-12-10(16-13-11)7-8-5-3-4-6-9(8)15/h3-6,15H,7H2,1-2H3
InChIKeyNXCOQLMZYSHXQY-UHFFFAOYSA-N
XLogP1.43
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740910
5-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 139617834
2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740766
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740542
2-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078953
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
2-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80741141
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 103816129
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-methyl-2-phenylpropanoic acid
CID 116799750
2-[[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740840

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 116799871) is 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol is CN(C)c1noc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is NXCOQLMZYSHXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14(2)11-12-10(16-13-11)7-8-5-3-4-6-9(8)15/h3-6,15H,7H2,1-2H3.
What are the key properties of 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol?
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 219.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 116799871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).