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

C9H7ClN2O2 — CID 870621

IUPAC2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(CCl)no1
InChIInChI=1S/C9H7ClN2O2/c10-5-8-11-9(14-12-8)6-3-1-2-4-7(6)13/h1-4,13H,5H2
InChIKeyZGVJDSCNZFSKOG-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.18
Rot. Bonds2

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

2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 870621) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID870621
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(CCl)no1
InChIInChI=1S/C9H7ClN2O2/c10-5-8-11-9(14-12-8)6-3-1-2-4-7(6)13/h1-4,13H,5H2
InChIKeyZGVJDSCNZFSKOG-UHFFFAOYSA-N
XLogP2.18
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]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-[3-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenol
CID 137002850
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136964522
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
2-[3-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 154735688
5-(4-bromophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 43120201
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136712503
1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 137002833
3-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928462
2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827116
5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 43120179
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843

Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 870621) is 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccccc1-c1nc(CCl)no1.
What is the InChIKey of 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ZGVJDSCNZFSKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-5-8-11-9(14-12-8)6-3-1-2-4-7(6)13/h1-4,13H,5H2.
What are the key properties of 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 210.62 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 870621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).