5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one

C6H2Br2N2O2S — CID 107966490

IUPAC5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cc(Br)sc2Br)o1
InChIInChI=1S/C6H2Br2N2O2S/c7-3-1-2(4(8)13-3)5-9-10-6(11)12-5/h1H,(H,10,11)
InChIKeyPWTXCGADDOQPNL-UHFFFAOYSA-N
MW325.97 g/mol
LogP2.62
Rot. Bonds1

About 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one

5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 107966490) has the molecular formula C6H2Br2N2O2S and a molecular weight of 325.97 g/mol. Its IUPAC name is 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID107966490
Molecular FormulaC6H2Br2N2O2S
Molecular Weight325.97 g/mol
Exact Mass323.82
IUPAC Name5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cc(Br)sc2Br)o1
InChIInChI=1S/C6H2Br2N2O2S/c7-3-1-2(4(8)13-3)5-9-10-6(11)12-5/h1H,(H,10,11)
InChIKeyPWTXCGADDOQPNL-UHFFFAOYSA-N
XLogP2.62
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.97
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one (CID 107966490) is 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2cc(Br)sc2Br)o1.
What is the InChIKey of 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is PWTXCGADDOQPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2O2S/c7-3-1-2(4(8)13-3)5-9-10-6(11)12-5/h1H,(H,10,11).
What are the key properties of 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one?
5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 325.97 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromothiophen-3-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 107966490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).