5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid

C11H14N2O3 — CID 83917773

IUPAC5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
SMILESO=C(O)c1noc2c1CN(C1CCCC1)C2
InChIInChI=1S/C11H14N2O3/c14-11(15)10-8-5-13(6-9(8)16-12-10)7-3-1-2-4-7/h7H,1-6H2,(H,14,15)
InChIKeyUBQSELDHTJQDQC-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.63
Rot. Bonds2

About 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid

5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid (PubChem CID 83917773) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
PubChem CID83917773
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
SMILESO=C(O)c1noc2c1CN(C1CCCC1)C2
InChIInChI=1S/C11H14N2O3/c14-11(15)10-8-5-13(6-9(8)16-12-10)7-3-1-2-4-7/h7H,1-6H2,(H,14,15)
InChIKeyUBQSELDHTJQDQC-UHFFFAOYSA-N
XLogP1.63
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid?
The IUPAC name of 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid (CID 83917773) is 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid is O=C(O)c1noc2c1CN(C1CCCC1)C2.
What is the InChIKey of 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid?
The InChIKey is UBQSELDHTJQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(15)10-8-5-13(6-9(8)16-12-10)7-3-1-2-4-7/h7H,1-6H2,(H,14,15).
What are the key properties of 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid?
5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid is sourced from PubChem (CID 83917773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).