[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone

C19H22FN3O2 — CID 146229723

IUPAC[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CCCCN2)on1)N1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C19H22FN3O2/c20-15-5-3-4-13(10-15)14-7-9-23(12-14)19(24)17-11-18(25-22-17)16-6-1-2-8-21-16/h3-5,10-11,14,16,21H,1-2,6-9,12H2
InChIKeyDZDVRNGAJFCKEV-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.26
Rot. Bonds3

About [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone

[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 146229723) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID146229723
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CCCCN2)on1)N1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C19H22FN3O2/c20-15-5-3-4-13(10-15)14-7-9-23(12-14)19(24)17-11-18(25-22-17)16-6-1-2-8-21-16/h3-5,10-11,14,16,21H,1-2,6-9,12H2
InChIKeyDZDVRNGAJFCKEV-UHFFFAOYSA-N
XLogP3.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone (CID 146229723) is [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(C2CCCCN2)on1)N1CCC(c2cccc(F)c2)C1.
What is the InChIKey of [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is DZDVRNGAJFCKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-5-3-4-13(10-15)14-7-9-23(12-14)19(24)17-11-18(25-22-17)16-6-1-2-8-21-16/h3-5,10-11,14,16,21H,1-2,6-9,12H2.
What are the key properties of [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone?
[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 343.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-piperidin-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 146229723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).