3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole

C13H7BrN4OS — CID 167962772

IUPAC3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole
SMILESBrc1ccsc1-c1noc(-c2cccc3[nH]ncc23)n1
InChIInChI=1S/C13H7BrN4OS/c14-9-4-5-20-11(9)12-16-13(19-18-12)7-2-1-3-10-8(7)6-15-17-10/h1-6H,(H,15,17)
InChIKeyGOMWZMSPUODIDI-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.10
Rot. Bonds2

About 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole

3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole (PubChem CID 167962772) has the molecular formula C13H7BrN4OS and a molecular weight of 347.20 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole
PubChem CID167962772
Molecular FormulaC13H7BrN4OS
Molecular Weight347.20 g/mol
Exact Mass345.95
IUPAC Name3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole
SMILESBrc1ccsc1-c1noc(-c2cccc3[nH]ncc23)n1
InChIInChI=1S/C13H7BrN4OS/c14-9-4-5-20-11(9)12-16-13(19-18-12)7-2-1-3-10-8(7)6-15-17-10/h1-6H,(H,15,17)
InChIKeyGOMWZMSPUODIDI-UHFFFAOYSA-N
XLogP4.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole (CID 167962772) is 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole is Brc1ccsc1-c1noc(-c2cccc3[nH]ncc23)n1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is GOMWZMSPUODIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4OS/c14-9-4-5-20-11(9)12-16-13(19-18-12)7-2-1-3-10-8(7)6-15-17-10/h1-6H,(H,15,17).
What are the key properties of 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole?
3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 347.20 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-5-(1H-indazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167962772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).