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

C10H7ClN2O2 — CID 112571868

IUPAC3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccc3c(c2)COC3)n1
InChIInChI=1S/C10H7ClN2O2/c11-10-12-9(15-13-10)6-1-2-7-4-14-5-8(7)3-6/h1-3H,4-5H2
InChIKeyCXGMAWPWIVBHIU-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.42
Rot. Bonds1

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

3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole (PubChem CID 112571868) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole
PubChem CID112571868
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccc3c(c2)COC3)n1
InChIInChI=1S/C10H7ClN2O2/c11-10-12-9(15-13-10)6-1-2-7-4-14-5-8(7)3-6/h1-3H,4-5H2
InChIKeyCXGMAWPWIVBHIU-UHFFFAOYSA-N
XLogP2.42
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole (CID 112571868) is 3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole is Clc1noc(-c2ccc3c(c2)COC3)n1.
What is the InChIKey of 3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole?
The InChIKey is CXGMAWPWIVBHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-10-12-9(15-13-10)6-1-2-7-4-14-5-8(7)3-6/h1-3H,4-5H2.
What are the key properties of 3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole?
3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole has a molecular weight of 222.63 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).