4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one

C19H20N2O2 — CID 10335436

IUPAC4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)
InChIKeyQUBHUQVCFZIJRF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.18
Rot. Bonds3

About 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one

4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one (PubChem CID 10335436) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one
PubChem CID10335436
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)
InChIKeyQUBHUQVCFZIJRF-UHFFFAOYSA-N
XLogP3.18
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
The IUPAC name of 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one (CID 10335436) is 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one.
What is the SMILES notation for 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
The canonical SMILES for 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one is O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
The InChIKey is QUBHUQVCFZIJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22).
What are the key properties of 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one has a molecular weight of 308.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one is sourced from PubChem (CID 10335436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).