2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde

C8H4BrNO2S — CID 164661632

IUPAC2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccsc2Br)o1
InChIInChI=1S/C8H4BrNO2S/c9-7-6(1-2-13-7)8-10-3-5(4-11)12-8/h1-4H
InChIKeyCDNZYFKOVONYIH-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.98
Rot. Bonds2

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

2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde (PubChem CID 164661632) has the molecular formula C8H4BrNO2S and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde
PubChem CID164661632
Molecular FormulaC8H4BrNO2S
Molecular Weight258.10 g/mol
Exact Mass256.91
IUPAC Name2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccsc2Br)o1
InChIInChI=1S/C8H4BrNO2S/c9-7-6(1-2-13-7)8-10-3-5(4-11)12-8/h1-4H
InChIKeyCDNZYFKOVONYIH-UHFFFAOYSA-N
XLogP2.98
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde (CID 164661632) is 2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde is O=Cc1cnc(-c2ccsc2Br)o1.
What is the InChIKey of 2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde?
The InChIKey is CDNZYFKOVONYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2S/c9-7-6(1-2-13-7)8-10-3-5(4-11)12-8/h1-4H.
What are the key properties of 2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde?
2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde has a molecular weight of 258.10 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 164661632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).