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

C9H11NO3 — CID 56828658

IUPAC3-cyclopentyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCCC2)no1
InChIInChI=1S/C9H11NO3/c11-9(12)8-5-7(10-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyBARRKOGFPADROJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP2.03
Rot. Bonds2

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

3-cyclopentyl-1,2-oxazole-5-carboxylic acid (PubChem CID 56828658) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-cyclopentyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-1,2-oxazole-5-carboxylic acid
PubChem CID56828658
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-cyclopentyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCCC2)no1
InChIInChI=1S/C9H11NO3/c11-9(12)8-5-7(10-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyBARRKOGFPADROJ-UHFFFAOYSA-N
XLogP2.03
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-cyclopentyl-1,2-oxazole-5-carboxylic acid (CID 56828658) is 3-cyclopentyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is BARRKOGFPADROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(12)8-5-7(10-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 3-cyclopentyl-1,2-oxazole-5-carboxylic acid?
3-cyclopentyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 56828658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).