2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole

C11H8BrN5OS — CID 8706404

IUPAC2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(CSc2ncn[nH]2)o1
InChIInChI=1S/C11H8BrN5OS/c12-8-4-2-1-3-7(8)10-16-15-9(18-10)5-19-11-13-6-14-17-11/h1-4,6H,5H2,(H,13,14,17)
InChIKeySOBRKVUSMQBCNN-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole

2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 8706404) has the molecular formula C11H8BrN5OS and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID8706404
Molecular FormulaC11H8BrN5OS
Molecular Weight338.19 g/mol
Exact Mass336.96
IUPAC Name2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(CSc2ncn[nH]2)o1
InChIInChI=1S/C11H8BrN5OS/c12-8-4-2-1-3-7(8)10-16-15-9(18-10)5-19-11-13-6-14-17-11/h1-4,6H,5H2,(H,13,14,17)
InChIKeySOBRKVUSMQBCNN-UHFFFAOYSA-N
XLogP2.91
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]aniline
CID 43249000
2-(2-bromophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29183417
2-(2-bromophenyl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2532092
2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 30765253
2-(2-bromophenyl)-5-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 31611029
2-(2-bromophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2606732
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66229712
2-(2-bromophenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2623215
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
2-(2-bromophenyl)-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 9360305
5-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 2501661
2-(2-bromophenyl)-5-[2-(4-chlorophenoxy)ethylsulfanylmethyl]-1,3,4-oxadiazole
CID 78834064

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 8706404) is 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole is Brc1ccccc1-c1nnc(CSc2ncn[nH]2)o1.
What is the InChIKey of 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is SOBRKVUSMQBCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5OS/c12-8-4-2-1-3-7(8)10-16-15-9(18-10)5-19-11-13-6-14-17-11/h1-4,6H,5H2,(H,13,14,17).
What are the key properties of 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 338.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 8706404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).