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

C9H10BrNO3 — CID 83913314

IUPAC4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2CCCC2)c1Br
InChIInChI=1S/C9H10BrNO3/c10-6-7(9(12)13)11-14-8(6)5-3-1-2-4-5/h5H,1-4H2,(H,12,13)
InChIKeyCQTVMKCPHWQSSU-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.79
Rot. Bonds2

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

4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid (PubChem CID 83913314) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
PubChem CID83913314
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2CCCC2)c1Br
InChIInChI=1S/C9H10BrNO3/c10-6-7(9(12)13)11-14-8(6)5-3-1-2-4-5/h5H,1-4H2,(H,12,13)
InChIKeyCQTVMKCPHWQSSU-UHFFFAOYSA-N
XLogP2.79
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.79
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
4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde
CID 83912815
5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 105448821
4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
CID 83637343
5-cyclopropyl-4-(dimethylamino)-1,2-oxazole-3-carboxylic acid
CID 82373279
5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 106821236
4-cyclopentyl-5-methoxy-1,2-oxazole-3-carboxylic acid
CID 105464783
3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid
CID 105439905
4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid
CID 84695249
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
5-cyclopentyl-3-pentan-3-yl-1,2-oxazole-4-carboxylic acid
CID 113390704
2-(5-cyclopentyl-3-methyl-1,2-oxazol-4-yl)acetic acid
CID 105462752

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid (CID 83913314) is 4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid is O=C(O)c1noc(C2CCCC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is CQTVMKCPHWQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-6-7(9(12)13)11-14-8(6)5-3-1-2-4-5/h5H,1-4H2,(H,12,13).
What are the key properties of 4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid?
4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 260.09 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 83913314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).