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

C11H7ClN2O2 — CID 114770729

IUPAC2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2oc(-c3nnc(Cl)o3)cc2c1
InChIInChI=1S/C11H7ClN2O2/c1-6-2-3-8-7(4-6)5-9(15-8)10-13-14-11(12)16-10/h2-5H,1H3
InChIKeyOVUMNOQWVNTSGL-UHFFFAOYSA-N
MW234.64 g/mol
LogP3.44
Rot. Bonds1

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

2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole (PubChem CID 114770729) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
PubChem CID114770729
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2oc(-c3nnc(Cl)o3)cc2c1
InChIInChI=1S/C11H7ClN2O2/c1-6-2-3-8-7(4-6)5-9(15-8)10-13-14-11(12)16-10/h2-5H,1H3
InChIKeyOVUMNOQWVNTSGL-UHFFFAOYSA-N
XLogP3.44
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
CID 114734095
N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163596
5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009697
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 83240225
[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 55012566
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
CID 114733092
4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole
CID 114770970
2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 114770871

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole (CID 114770729) is 2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole is Cc1ccc2oc(-c3nnc(Cl)o3)cc2c1.
What is the InChIKey of 2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is OVUMNOQWVNTSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c1-6-2-3-8-7(4-6)5-9(15-8)10-13-14-11(12)16-10/h2-5H,1H3.
What are the key properties of 2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole?
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 234.64 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114770729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).