[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone

C16H16N2O4 — CID 4080332

IUPAC[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCCC1
InChIInChI=1S/C16H16N2O4/c19-16(18-6-2-1-3-7-18)12-9-14(22-17-12)11-4-5-13-15(8-11)21-10-20-13/h4-5,8-9H,1-3,6-7,10H2
InChIKeyKQZWXXWNCIWPPE-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.70
Rot. Bonds2

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 4080332) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
PubChem CID4080332
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCCC1
InChIInChI=1S/C16H16N2O4/c19-16(18-6-2-1-3-7-18)12-9-14(22-17-12)11-4-5-13-15(8-11)21-10-20-13/h4-5,8-9H,1-3,6-7,10H2
InChIKeyKQZWXXWNCIWPPE-UHFFFAOYSA-N
XLogP2.70
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone (CID 4080332) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone is O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCCC1.
What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is KQZWXXWNCIWPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-16(18-6-2-1-3-7-18)12-9-14(22-17-12)11-4-5-13-15(8-11)21-10-20-13/h4-5,8-9H,1-3,6-7,10H2.
What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone?
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 300.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 4080332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).