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

C8H7ClN2O2 — CID 104788713

IUPAC5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
SMILESCc1occc1-c1noc(CCl)n1
InChIInChI=1S/C8H7ClN2O2/c1-5-6(2-3-12-5)8-10-7(4-9)13-11-8/h2-3H,4H2,1H3
InChIKeyFUBDCSIXOBHYLD-UHFFFAOYSA-N
MW198.61 g/mol
LogP2.38
Rot. Bonds2

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

5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole (PubChem CID 104788713) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
PubChem CID104788713
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
SMILESCc1occc1-c1noc(CCl)n1
InChIInChI=1S/C8H7ClN2O2/c1-5-6(2-3-12-5)8-10-7(4-9)13-11-8/h2-3H,4H2,1H3
InChIKeyFUBDCSIXOBHYLD-UHFFFAOYSA-N
XLogP2.38
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 52.38
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

N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788968
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
N-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 104788961
3-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 104790942
3,3-dimethyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 113453470
N-ethyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788840
4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104788807
N-ethyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104790991
5-(2-chloroethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797638
4-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 104788856
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
N-ethyl-2-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483631

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole (CID 104788713) is 5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole is Cc1occc1-c1noc(CCl)n1.
What is the InChIKey of 5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
The InChIKey is FUBDCSIXOBHYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c1-5-6(2-3-12-5)8-10-7(4-9)13-11-8/h2-3H,4H2,1H3.
What are the key properties of 5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole has a molecular weight of 198.61 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104788713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).