(4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C22H23FN2O2 — CID 17095775

IUPAC(4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-18(7-9-19)20-15-21(27-24-20)22(26)25-12-10-17(11-13-25)14-16-4-2-1-3-5-16/h1-9,17,21H,10-15H2
InChIKeyGOWDXBWIZZCLLF-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.80
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

(4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 17095775) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID17095775
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-19-8-6-18(7-9-19)20-15-21(27-24-20)22(26)25-12-10-17(11-13-25)14-16-4-2-1-3-5-16/h1-9,17,21H,10-15H2
InChIKeyGOWDXBWIZZCLLF-UHFFFAOYSA-N
XLogP3.80
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 17095775) is (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is GOWDXBWIZZCLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-8-6-18(7-9-19)20-15-21(27-24-20)22(26)25-12-10-17(11-13-25)14-16-4-2-1-3-5-16/h1-9,17,21H,10-15H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
(4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 17095775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).