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

C9H11NO3 — CID 62234616

IUPAC2-cyclopentyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C2CCCC2)n1
InChIInChI=1S/C9H11NO3/c11-9(12)7-5-13-8(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyHMFSEYJFLNQHOM-UHFFFAOYSA-N
MW181.19 g/mol
LogP2.03
Rot. Bonds2

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

2-cyclopentyl-1,3-oxazole-4-carboxylic acid (PubChem CID 62234616) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-cyclopentyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-1,3-oxazole-4-carboxylic acid
PubChem CID62234616
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-cyclopentyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C2CCCC2)n1
InChIInChI=1S/C9H11NO3/c11-9(12)7-5-13-8(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyHMFSEYJFLNQHOM-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 2-cyclopentyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-1,3-oxazole-4-carboxylic acid (CID 62234616) is 2-cyclopentyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is HMFSEYJFLNQHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(12)7-5-13-8(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 2-cyclopentyl-1,3-oxazole-4-carboxylic acid?
2-cyclopentyl-1,3-oxazole-4-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 2-cyclopentyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62234616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).