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

C10H7ClN2O2 — CID 112571955

IUPAC3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C10H7ClN2O2/c11-10-12-9(15-13-10)7-1-2-8-6(5-7)3-4-14-8/h1-2,5H,3-4H2
InChIKeyUWDBQMNRQPVYSL-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.32
Rot. Bonds1

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

3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole (PubChem CID 112571955) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
PubChem CID112571955
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C10H7ClN2O2/c11-10-12-9(15-13-10)7-1-2-8-6(5-7)3-4-14-8/h1-2,5H,3-4H2
InChIKeyUWDBQMNRQPVYSL-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazole
CID 112571996
3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571868
ethyl 5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379362
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
7-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)quinazoline
CID 114590488
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
4-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonitrile
CID 116859092
5-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 66313992
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 104544765
2-(2-chloroethyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
CID 62199935
6-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 104544727

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole (CID 112571955) is 3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole is Clc1noc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
The InChIKey is UWDBQMNRQPVYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-10-12-9(15-13-10)7-1-2-8-6(5-7)3-4-14-8/h1-2,5H,3-4H2.
What are the key properties of 3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole has a molecular weight of 222.63 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).