3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole

C13H13FN2O — CID 69491718

IUPAC3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
SMILESFc1cccc(-c2cc([C@H]3CCCN3)on2)c1
InChIInChI=1S/C13H13FN2O/c14-10-4-1-3-9(7-10)12-8-13(17-16-12)11-5-2-6-15-11/h1,3-4,7-8,11,15H,2,5-6H2/t11-/m1/s1
InChIKeyGZKONVGTJBGFKN-LLVKDONJSA-N
MW232.26 g/mol
LogP2.91
Rot. Bonds2

About 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole

3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 69491718) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
PubChem CID69491718
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
SMILESFc1cccc(-c2cc([C@H]3CCCN3)on2)c1
InChIInChI=1S/C13H13FN2O/c14-10-4-1-3-9(7-10)12-8-13(17-16-12)11-5-2-6-15-11/h1,3-4,7-8,11,15H,2,5-6H2/t11-/m1/s1
InChIKeyGZKONVGTJBGFKN-LLVKDONJSA-N
XLogP2.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
CID 10242348
4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 115038784
3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 68838963
3-[5-(3-fluorophenyl)-2-pyridinyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71088454
5-pyrrolidin-2-yl-1,2-oxazol-3-amine
CID 115094046
[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone
CID 146229723
N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine
CID 68843630
3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 42575797
3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480
(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine
CID 51884033
4-fluoro-2-[(2R)-pyrrolidin-2-yl]pyridine
CID 130713831
2-[(3-fluorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928674

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole (CID 69491718) is 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole is Fc1cccc(-c2cc([C@H]3CCCN3)on2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is GZKONVGTJBGFKN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-10-4-1-3-9(7-10)12-8-13(17-16-12)11-5-2-6-15-11/h1,3-4,7-8,11,15H,2,5-6H2/t11-/m1/s1.
What are the key properties of 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 232.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 69491718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).