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

C18H18N2O2 — CID 11303369

IUPAC4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-7-9-19-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,19H,7-10H2,(H,20,21)
InChIKeyPWDALQSYHZMANN-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.26
Rot. Bonds2

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

4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one (PubChem CID 11303369) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one
PubChem CID11303369
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-7-9-19-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,19H,7-10H2,(H,20,21)
InChIKeyPWDALQSYHZMANN-UHFFFAOYSA-N
XLogP3.26
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one?
The IUPAC name of 4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one (CID 11303369) is 4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one.
What is the SMILES notation for 4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one?
The canonical SMILES for 4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one is O=c1[nH]oc(C2CCNCC2)c1-c1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one?
The InChIKey is PWDALQSYHZMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-7-9-19-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,19H,7-10H2,(H,20,21).
What are the key properties of 4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one?
4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one has a molecular weight of 294.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-5-piperidin-4-yl-1,2-oxazol-3-one is sourced from PubChem (CID 11303369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).