2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole

C10H8ClFN2O2 — CID 81283796

IUPAC2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(CCl)o2)ccc1F
InChIInChI=1S/C10H8ClFN2O2/c1-15-8-4-6(2-3-7(8)12)10-14-13-9(5-11)16-10/h2-4H,5H2,1H3
InChIKeySFNXICLLSHECKU-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.62
Rot. Bonds3

About 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 81283796) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID81283796
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(CCl)o2)ccc1F
InChIInChI=1S/C10H8ClFN2O2/c1-15-8-4-6(2-3-7(8)12)10-14-13-9(5-11)16-10/h2-4H,5H2,1H3
InChIKeySFNXICLLSHECKU-UHFFFAOYSA-N
XLogP2.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole 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

1-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 81284962
N-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81285040
3-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 81284146
2-(4-butoxy-3-methoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 16769325
2-(chloromethyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4-oxadiazole
CID 46944561
N-[1-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 81284443
2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 18070785
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
N-[[5-(3-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62921409
5-chloro-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylaniline
CID 110653175
(E)-3-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81284351

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole (CID 81283796) is 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(CCl)o2)ccc1F.
What is the InChIKey of 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is SFNXICLLSHECKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-15-8-4-6(2-3-7(8)12)10-14-13-9(5-11)16-10/h2-4H,5H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 242.64 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 81283796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).