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

C20H22N2O2 — CID 10758194

IUPAC4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1CCc1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-5,7,13,16,21H,6,8-12H2,(H,22,23)
InChIKeyBQLQGMSDFYMSGG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.37
Rot. Bonds4

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

4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one (PubChem CID 10758194) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one
PubChem CID10758194
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1CCc1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-5,7,13,16,21H,6,8-12H2,(H,22,23)
InChIKeyBQLQGMSDFYMSGG-UHFFFAOYSA-N
XLogP3.37
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
The IUPAC name of 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one (CID 10758194) is 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one.
What is the SMILES notation for 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
The canonical SMILES for 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one is O=c1[nH]oc(C2CCNCC2)c1CCc1ccc2ccccc2c1.
What is the InChIKey of 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
The InChIKey is BQLQGMSDFYMSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-5,7,13,16,21H,6,8-12H2,(H,22,23).
What are the key properties of 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one has a molecular weight of 322.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one is sourced from PubChem (CID 10758194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).