[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone

C17H18N2O4 — CID 4319000

IUPAC[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C17H18N2O4/c1-11-4-2-3-7-19(11)17(20)13-9-15(23-18-13)12-5-6-14-16(8-12)22-10-21-14/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyTZZJIUWSEVVIJB-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.08
Rot. Bonds2

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 4319000) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID4319000
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C17H18N2O4/c1-11-4-2-3-7-19(11)17(20)13-9-15(23-18-13)12-5-6-14-16(8-12)22-10-21-14/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyTZZJIUWSEVVIJB-UHFFFAOYSA-N
XLogP3.08
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone (CID 4319000) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is TZZJIUWSEVVIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-4-2-3-7-19(11)17(20)13-9-15(23-18-13)12-5-6-14-16(8-12)22-10-21-14/h5-6,8-9,11H,2-4,7,10H2,1H3.
What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 314.34 g/mol, XLogP of 3.08, 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]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4319000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).