4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one

C14H16N2O2 — CID 11404581

IUPAC4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c17-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-15-9-7-11/h1-5,11,15H,6-9H2,(H,16,17)
InChIKeyQTEBXBALJGPXEP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.10
Rot. Bonds2

About 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one

4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one (PubChem CID 11404581) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one
PubChem CID11404581
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c17-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-15-9-7-11/h1-5,11,15H,6-9H2,(H,16,17)
InChIKeyQTEBXBALJGPXEP-UHFFFAOYSA-N
XLogP2.10
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one?
The IUPAC name of 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one (CID 11404581) is 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one.
What is the SMILES notation for 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one?
The canonical SMILES for 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one is O=c1[nH]oc(C2CCNCC2)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one?
The InChIKey is QTEBXBALJGPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-15-9-7-11/h1-5,11,15H,6-9H2,(H,16,17).
What are the key properties of 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one?
4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one has a molecular weight of 244.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-piperidin-4-yl-1,2-oxazol-3-one is sourced from PubChem (CID 11404581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).