2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid

C8H9FN2O3 — CID 70845898

IUPAC2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CC[C@@H](F)C2)n1
InChIInChI=1S/C8H9FN2O3/c9-5-1-2-11(3-5)8-10-6(4-14-8)7(12)13/h4-5H,1-3H2,(H,12,13)/t5-/m1/s1
InChIKeyCHMSBMJUJVRPST-RXMQYKEDSA-N
MW200.17 g/mol
LogP0.92
Rot. Bonds2

About 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid

2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 70845898) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID70845898
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CC[C@@H](F)C2)n1
InChIInChI=1S/C8H9FN2O3/c9-5-1-2-11(3-5)8-10-6(4-14-8)7(12)13/h4-5H,1-3H2,(H,12,13)/t5-/m1/s1
InChIKeyCHMSBMJUJVRPST-RXMQYKEDSA-N
XLogP0.92
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid (CID 70845898) is 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(N2CC[C@@H](F)C2)n1.
What is the InChIKey of 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is CHMSBMJUJVRPST-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-5-1-2-11(3-5)8-10-6(4-14-8)7(12)13/h4-5H,1-3H2,(H,12,13)/t5-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid?
2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 200.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoropyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70845898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).