2-bromo-1,3-oxazole-5-carboxamide

C4H3BrN2O2 — CID 121231880

IUPAC2-bromo-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(Br)o1
InChIInChI=1S/C4H3BrN2O2/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8)
InChIKeyFYCIWZZLFVDUIQ-UHFFFAOYSA-N
MW190.98 g/mol
LogP0.54
Rot. Bonds1

About 2-bromo-1,3-oxazole-5-carboxamide

2-bromo-1,3-oxazole-5-carboxamide (PubChem CID 121231880) has the molecular formula C4H3BrN2O2 and a molecular weight of 190.98 g/mol. Its IUPAC name is 2-bromo-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-1,3-oxazole-5-carboxamide
PubChem CID121231880
Molecular FormulaC4H3BrN2O2
Molecular Weight190.98 g/mol
Exact Mass189.94
IUPAC Name2-bromo-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(Br)o1
InChIInChI=1S/C4H3BrN2O2/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8)
InChIKeyFYCIWZZLFVDUIQ-UHFFFAOYSA-N
XLogP0.54
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.98
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-bromo-1,3-oxazole-5-carboxamide (CID 121231880) is 2-bromo-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-bromo-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-bromo-1,3-oxazole-5-carboxamide is NC(=O)c1cnc(Br)o1.
What is the InChIKey of 2-bromo-1,3-oxazole-5-carboxamide?
The InChIKey is FYCIWZZLFVDUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2O2/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8).
What are the key properties of 2-bromo-1,3-oxazole-5-carboxamide?
2-bromo-1,3-oxazole-5-carboxamide has a molecular weight of 190.98 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 121231880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).