2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole

C7H10N2O — CID 55299025

IUPAC2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
SMILESc1coc([C@@H]2CCCN2)n1
InChIInChI=1S/C7H10N2O/c1-2-6(8-3-1)7-9-4-5-10-7/h4-6,8H,1-3H2/t6-/m0/s1
InChIKeyRPWXYSWZGLZUQA-LURJTMIESA-N
MW138.17 g/mol
LogP1.10
Rot. Bonds1

About 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole

2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole (PubChem CID 55299025) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
PubChem CID55299025
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
SMILESc1coc([C@@H]2CCCN2)n1
InChIInChI=1S/C7H10N2O/c1-2-6(8-3-1)7-9-4-5-10-7/h4-6,8H,1-3H2/t6-/m0/s1
InChIKeyRPWXYSWZGLZUQA-LURJTMIESA-N
XLogP1.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole (CID 55299025) is 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole is c1coc([C@@H]2CCCN2)n1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
The InChIKey is RPWXYSWZGLZUQA-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-6(8-3-1)7-9-4-5-10-7/h4-6,8H,1-3H2/t6-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole has a molecular weight of 138.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 55299025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).