5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole

C13H13FN2O — CID 52983812

IUPAC5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
SMILESFc1ccc(-c2cnc(C3CCCN3)o2)cc1
InChIInChI=1S/C13H13FN2O/c14-10-5-3-9(4-6-10)12-8-16-13(17-12)11-2-1-7-15-11/h3-6,8,11,15H,1-2,7H2
InChIKeySGIBHGOHBSAYQQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.91
Rot. Bonds2

About 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole

5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole (PubChem CID 52983812) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
PubChem CID52983812
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
SMILESFc1ccc(-c2cnc(C3CCCN3)o2)cc1
InChIInChI=1S/C13H13FN2O/c14-10-5-3-9(4-6-10)12-8-16-13(17-12)11-2-1-7-15-11/h3-6,8,11,15H,1-2,7H2
InChIKeySGIBHGOHBSAYQQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole (CID 52983812) is 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole is Fc1ccc(-c2cnc(C3CCCN3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole?
The InChIKey is SGIBHGOHBSAYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-10-5-3-9(4-6-10)12-8-16-13(17-12)11-2-1-7-15-11/h3-6,8,11,15H,1-2,7H2.
What are the key properties of 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole?
5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-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 5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole is sourced from PubChem (CID 52983812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).