4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid

C7H6BrNO3 — CID 84695249

IUPAC4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(C2CC2)c1Br
InChIInChI=1S/C7H6BrNO3/c8-4-5(3-1-2-3)9-12-6(4)7(10)11/h3H,1-2H2,(H,10,11)
InChIKeyUGRQRFGUYGGQCU-UHFFFAOYSA-N
MW232.03 g/mol
LogP2.01
Rot. Bonds2

About 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid

4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid (PubChem CID 84695249) has the molecular formula C7H6BrNO3 and a molecular weight of 232.03 g/mol. Its IUPAC name is 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid
PubChem CID84695249
Molecular FormulaC7H6BrNO3
Molecular Weight232.03 g/mol
Exact Mass230.95
IUPAC Name4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(C2CC2)c1Br
InChIInChI=1S/C7H6BrNO3/c8-4-5(3-1-2-3)9-12-6(4)7(10)11/h3H,1-2H2,(H,10,11)
InChIKeyUGRQRFGUYGGQCU-UHFFFAOYSA-N
XLogP2.01
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid
CID 84713707
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
CID 83913314
4-bromo-3-methylsulfanyl-1,2-oxazole-5-carboxylic acid
CID 83867110
4-bromo-3-methoxy-1,2-oxazole-5-carboxylic acid
CID 83867102
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
4-bromo-3-cyclopentyl-1,2-oxazol-5-amine
CID 83911607
3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 83908635
3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 114207942
3-methyl-4-(oxan-4-yl)-1,2-oxazole-5-carboxylic acid
CID 105464779
4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
5-bromo-4-cyclopropyl-1,3-thiazole-2-carboxylic acid
CID 83679237

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid (CID 84695249) is 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid is O=C(O)c1onc(C2CC2)c1Br.
What is the InChIKey of 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is UGRQRFGUYGGQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO3/c8-4-5(3-1-2-3)9-12-6(4)7(10)11/h3H,1-2H2,(H,10,11).
What are the key properties of 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid?
4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 232.03 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 84695249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).