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

C10H7ClN2O3 — CID 114771029

IUPAC2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
SMILESClc1nnc(C2COc3ccccc3O2)o1
InChIInChI=1S/C10H7ClN2O3/c11-10-13-12-9(16-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2
InChIKeyLRAXWWZDPDBTHL-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.24
Rot. Bonds1

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

2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole (PubChem CID 114771029) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
PubChem CID114771029
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
SMILESClc1nnc(C2COc3ccccc3O2)o1
InChIInChI=1S/C10H7ClN2O3/c11-10-13-12-9(16-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2
InChIKeyLRAXWWZDPDBTHL-UHFFFAOYSA-N
XLogP2.24
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 5190640
potassium 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole-2-thiolate
CID 146020826
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
CID 129489389
2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 56804055
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137759
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
2-(cyclohexylmethylsulfanyl)-5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazole
CID 94873297
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 46670168
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole
CID 166197678
4-acetyl-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3400052
3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 95763196
2-[2-(2,2-difluoroethoxy)ethylsulfanyl]-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazole
CID 100632728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole (CID 114771029) is 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole is Clc1nnc(C2COc3ccccc3O2)o1.
What is the InChIKey of 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole?
The InChIKey is LRAXWWZDPDBTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-10-13-12-9(16-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2.
What are the key properties of 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole?
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole has a molecular weight of 238.63 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).