3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole

C11H12BrN3OS — CID 116825968

IUPAC3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole
SMILESBrc1csc(-c2cc(N3CCNCC3)on2)c1
InChIInChI=1S/C11H12BrN3OS/c12-8-5-10(17-7-8)9-6-11(16-14-9)15-3-1-13-2-4-15/h5-7,13H,1-4H2
InChIKeyIFVCUDNTHCABSU-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.58
Rot. Bonds2

About 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole

3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole (PubChem CID 116825968) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole
PubChem CID116825968
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole
SMILESBrc1csc(-c2cc(N3CCNCC3)on2)c1
InChIInChI=1S/C11H12BrN3OS/c12-8-5-10(17-7-8)9-6-11(16-14-9)15-3-1-13-2-4-15/h5-7,13H,1-4H2
InChIKeyIFVCUDNTHCABSU-UHFFFAOYSA-N
XLogP2.58
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole?
The IUPAC name of 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole (CID 116825968) is 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole is Brc1csc(-c2cc(N3CCNCC3)on2)c1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole?
The InChIKey is IFVCUDNTHCABSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c12-8-5-10(17-7-8)9-6-11(16-14-9)15-3-1-13-2-4-15/h5-7,13H,1-4H2.
What are the key properties of 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole?
3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole has a molecular weight of 314.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole is sourced from PubChem (CID 116825968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).