2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole

C16H11BrN4O — CID 162662876

IUPAC2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccc(Br)cc3)o2)c2ccccc21
InChIInChI=1S/C16H11BrN4O/c1-21-13-5-3-2-4-12(13)14(20-21)16-19-18-15(22-16)10-6-8-11(17)9-7-10/h2-9H,1H3
InChIKeyKIGJCFLNLCYVOI-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.05
Rot. Bonds2

About 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole

2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole (PubChem CID 162662876) has the molecular formula C16H11BrN4O and a molecular weight of 355.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole
PubChem CID162662876
Molecular FormulaC16H11BrN4O
Molecular Weight355.20 g/mol
Exact Mass354.01
IUPAC Name2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccc(Br)cc3)o2)c2ccccc21
InChIInChI=1S/C16H11BrN4O/c1-21-13-5-3-2-4-12(13)14(20-21)16-19-18-15(22-16)10-6-8-11(17)9-7-10/h2-9H,1H3
InChIKeyKIGJCFLNLCYVOI-UHFFFAOYSA-N
XLogP4.05
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole (CID 162662876) is 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole is Cn1nc(-c2nnc(-c3ccc(Br)cc3)o2)c2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole?
The InChIKey is KIGJCFLNLCYVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O/c1-21-13-5-3-2-4-12(13)14(20-21)16-19-18-15(22-16)10-6-8-11(17)9-7-10/h2-9H,1H3.
What are the key properties of 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole has a molecular weight of 355.20 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(1-methylindazol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162662876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).