3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid

C14H12FN3O4 — CID 119259086

IUPAC3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H12FN3O4/c15-14(13(20)21)3-5-18(8-14)12(19)10-6-11(22-17-10)9-2-1-4-16-7-9/h1-2,4,6-7H,3,5,8H2,(H,20,21)
InChIKeyPVKSLCQFOCLRID-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.38
Rot. Bonds3

About 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119259086) has the molecular formula C14H12FN3O4 and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119259086
Molecular FormulaC14H12FN3O4
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H12FN3O4/c15-14(13(20)21)3-5-18(8-14)12(19)10-6-11(22-17-10)9-2-1-4-16-7-9/h1-2,4,6-7H,3,5,8H2,(H,20,21)
InChIKeyPVKSLCQFOCLRID-UHFFFAOYSA-N
XLogP1.38
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 119259086) is 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid is O=C(c1cc(-c2cccnc2)on1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PVKSLCQFOCLRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4/c15-14(13(20)21)3-5-18(8-14)12(19)10-6-11(22-17-10)9-2-1-4-16-7-9/h1-2,4,6-7H,3,5,8H2,(H,20,21).
What are the key properties of 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 305.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).