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

C6H3ClN2O2 — CID 71758581

IUPAC3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccoc2)n1
InChIInChI=1S/C6H3ClN2O2/c7-6-8-5(11-9-6)4-1-2-10-3-4/h1-3H
InChIKeyWVAKANGZESXILV-UHFFFAOYSA-N
MW170.56 g/mol
LogP1.98
Rot. Bonds1

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

3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole (PubChem CID 71758581) has the molecular formula C6H3ClN2O2 and a molecular weight of 170.56 g/mol. Its IUPAC name is 3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole
PubChem CID71758581
Molecular FormulaC6H3ClN2O2
Molecular Weight170.56 g/mol
Exact Mass169.99
IUPAC Name3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccoc2)n1
InChIInChI=1S/C6H3ClN2O2/c7-6-8-5(11-9-6)4-1-2-10-3-4/h1-3H
InChIKeyWVAKANGZESXILV-UHFFFAOYSA-N
XLogP1.98
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole (CID 71758581) is 3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole is Clc1noc(-c2ccoc2)n1.
What is the InChIKey of 3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole?
The InChIKey is WVAKANGZESXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O2/c7-6-8-5(11-9-6)4-1-2-10-3-4/h1-3H.
What are the key properties of 3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole?
3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole has a molecular weight of 170.56 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(furan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71758581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).