2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole

C7H5ClN2O2 — CID 3689757

IUPAC2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccco2)o1
InChIInChI=1S/C7H5ClN2O2/c8-4-6-9-10-7(12-6)5-2-1-3-11-5/h1-3H,4H2
InChIKeyITPFFLTUPKAJHE-UHFFFAOYSA-N
MW184.58 g/mol
LogP2.07
Rot. Bonds2

About 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 3689757) has the molecular formula C7H5ClN2O2 and a molecular weight of 184.58 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID3689757
Molecular FormulaC7H5ClN2O2
Molecular Weight184.58 g/mol
Exact Mass184.00
IUPAC Name2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccco2)o1
InChIInChI=1S/C7H5ClN2O2/c8-4-6-9-10-7(12-6)5-2-1-3-11-5/h1-3H,4H2
InChIKeyITPFFLTUPKAJHE-UHFFFAOYSA-N
XLogP2.07
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82158215
2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
CID 44577822
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136730
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 94023261
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138559
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
CID 8630987
2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 8533570
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole (CID 3689757) is 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole is ClCc1nnc(-c2ccco2)o1.
What is the InChIKey of 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is ITPFFLTUPKAJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2/c8-4-6-9-10-7(12-6)5-2-1-3-11-5/h1-3H,4H2.
What are the key properties of 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 184.58 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 3689757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).