2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid

C11H8BrNO4 — CID 114374511

IUPAC2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2ccc(Br)o2)nc1C1CC1
InChIInChI=1S/C11H8BrNO4/c12-7-4-3-6(16-7)10-13-8(5-1-2-5)9(17-10)11(14)15/h3-5H,1-2H2,(H,14,15)
InChIKeySUSHELDMYSLSEZ-UHFFFAOYSA-N
MW298.09 g/mol
LogP3.27
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid

2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114374511) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
PubChem CID114374511
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2ccc(Br)o2)nc1C1CC1
InChIInChI=1S/C11H8BrNO4/c12-7-4-3-6(16-7)10-13-8(5-1-2-5)9(17-10)11(14)15/h3-5H,1-2H2,(H,14,15)
InChIKeySUSHELDMYSLSEZ-UHFFFAOYSA-N
XLogP3.27
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373776
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842524
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114026696
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
2-(3-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 107942093
2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374437
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374257
dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953719
4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 103311248

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid (CID 114374511) is 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(-c2ccc(Br)o2)nc1C1CC1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is SUSHELDMYSLSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c12-7-4-3-6(16-7)10-13-8(5-1-2-5)9(17-10)11(14)15/h3-5H,1-2H2,(H,14,15).
What are the key properties of 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 298.09 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).