(5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone

C19H18N2O2 — CID 46087245

IUPAC(5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc3ccccc3c2)on1)N1CCCCC1
InChIInChI=1S/C19H18N2O2/c22-19(21-10-4-1-5-11-21)17-13-18(23-20-17)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeyVFGDIMQGDZJQIR-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.12
Rot. Bonds2

About (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone

(5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 46087245) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone
PubChem CID46087245
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc3ccccc3c2)on1)N1CCCCC1
InChIInChI=1S/C19H18N2O2/c22-19(21-10-4-1-5-11-21)17-13-18(23-20-17)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeyVFGDIMQGDZJQIR-UHFFFAOYSA-N
XLogP4.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone (CID 46087245) is (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone is O=C(c1cc(-c2ccc3ccccc3c2)on1)N1CCCCC1.
What is the InChIKey of (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is VFGDIMQGDZJQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(21-10-4-1-5-11-21)17-13-18(23-20-17)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12-13H,1,4-5,10-11H2.
What are the key properties of (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone?
(5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-naphthalen-2-yl-1,2-oxazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 46087245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).