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

C8H6BrClN2OS — CID 63796850

IUPAC2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2sccc2Br)o1
InChIInChI=1S/C8H6BrClN2OS/c1-4(10)7-11-12-8(13-7)6-5(9)2-3-14-6/h2-4H,1H3
InChIKeyMXXRNTDOCWGMJQ-UHFFFAOYSA-N
MW293.57 g/mol
LogP3.86
Rot. Bonds2

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

2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole (PubChem CID 63796850) has the molecular formula C8H6BrClN2OS and a molecular weight of 293.57 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
PubChem CID63796850
Molecular FormulaC8H6BrClN2OS
Molecular Weight293.57 g/mol
Exact Mass291.91
IUPAC Name2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2sccc2Br)o1
InChIInChI=1S/C8H6BrClN2OS/c1-4(10)7-11-12-8(13-7)6-5(9)2-3-14-6/h2-4H,1H3
InChIKeyMXXRNTDOCWGMJQ-UHFFFAOYSA-N
XLogP3.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.57
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole (CID 63796850) is 2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole is CC(Cl)c1nnc(-c2sccc2Br)o1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole?
The InChIKey is MXXRNTDOCWGMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2OS/c1-4(10)7-11-12-8(13-7)6-5(9)2-3-14-6/h2-4H,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole?
2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole has a molecular weight of 293.57 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 63796850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).