[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C16H17FN2O2 — CID 110647509

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O2/c1-11-6-8-19(9-7-11)16(20)14-10-18-21-15(14)12-2-4-13(17)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyANCAPPVKVUPJOP-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.35
Rot. Bonds2

About [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 110647509) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID110647509
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O2/c1-11-6-8-19(9-7-11)16(20)14-10-18-21-15(14)12-2-4-13(17)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyANCAPPVKVUPJOP-UHFFFAOYSA-N
XLogP3.35
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 110647509) is [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnoc2-c2ccc(F)cc2)CC1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ANCAPPVKVUPJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-6-8-19(9-7-11)16(20)14-10-18-21-15(14)12-2-4-13(17)5-3-12/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 288.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110647509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).