(2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C17H21FN2O2 — CID 3236925

IUPAC(2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCC1CCCC(C)N1C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H21FN2O2/c1-11-4-3-5-12(2)20(11)17(21)16-10-15(19-22-16)13-6-8-14(18)9-7-13/h6-9,11-12,16H,3-5,10H2,1-2H3
InChIKeyOFYBDLTYCPMVLC-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.11
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

(2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 3236925) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID3236925
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCC1CCCC(C)N1C(=O)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H21FN2O2/c1-11-4-3-5-12(2)20(11)17(21)16-10-15(19-22-16)13-6-8-14(18)9-7-13/h6-9,11-12,16H,3-5,10H2,1-2H3
InChIKeyOFYBDLTYCPMVLC-UHFFFAOYSA-N
XLogP3.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 3236925) is (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is CC1CCCC(C)N1C(=O)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is OFYBDLTYCPMVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-11-4-3-5-12(2)20(11)17(21)16-10-15(19-22-16)13-6-8-14(18)9-7-13/h6-9,11-12,16H,3-5,10H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
(2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 304.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 3236925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).