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

C15H17FN2O — CID 95313681

IUPAC5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CC[C@H](c3cccc(F)c3)C2)on1
InChIInChI=1S/C15H17FN2O/c1-11-7-15(19-17-11)10-18-6-5-13(9-18)12-3-2-4-14(16)8-12/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-/m0/s1
InChIKeyZTKLEWJVYARILI-ZDUSSCGKSA-N
MW260.31 g/mol
LogP3.11
Rot. Bonds3

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

5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 95313681) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID95313681
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CC[C@H](c3cccc(F)c3)C2)on1
InChIInChI=1S/C15H17FN2O/c1-11-7-15(19-17-11)10-18-6-5-13(9-18)12-3-2-4-14(16)8-12/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-/m0/s1
InChIKeyZTKLEWJVYARILI-ZDUSSCGKSA-N
XLogP3.11
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 95313681) is 5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CC[C@H](c3cccc(F)c3)C2)on1.
What is the InChIKey of 5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is ZTKLEWJVYARILI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-7-15(19-17-11)10-18-6-5-13(9-18)12-3-2-4-14(16)8-12/h2-4,7-8,13H,5-6,9-10H2,1H3/t13-/m0/s1.
What are the key properties of 5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 260.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95313681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).