2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole

C16H10Cl2N4O — CID 58988236

IUPAC2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1-c1nnco1
InChIInChI=1S/C16H10Cl2N4O/c1-22-15(16-20-19-8-23-16)12-4-2-3-11(14(12)21-22)10-6-5-9(17)7-13(10)18/h2-8H,1H3
InChIKeyQLZGGFDHIMEYGL-UHFFFAOYSA-N
MW345.19 g/mol
LogP4.60
Rot. Bonds2

About 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole

2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole (PubChem CID 58988236) has the molecular formula C16H10Cl2N4O and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole
PubChem CID58988236
Molecular FormulaC16H10Cl2N4O
Molecular Weight345.19 g/mol
Exact Mass344.02
IUPAC Name2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1-c1nnco1
InChIInChI=1S/C16H10Cl2N4O/c1-22-15(16-20-19-8-23-16)12-4-2-3-11(14(12)21-22)10-6-5-9(17)7-13(10)18/h2-8H,1H3
InChIKeyQLZGGFDHIMEYGL-UHFFFAOYSA-N
XLogP4.60
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole (CID 58988236) is 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole is Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1-c1nnco1.
What is the InChIKey of 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is QLZGGFDHIMEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O/c1-22-15(16-20-19-8-23-16)12-4-2-3-11(14(12)21-22)10-6-5-9(17)7-13(10)18/h2-8H,1H3.
What are the key properties of 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole?
2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 345.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 58988236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).