2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone

C24H24N2O4 — CID 99174160

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H24N2O4/c27-23(19-6-7-21-22(14-19)29-13-12-28-21)17-8-10-26(11-9-17)15-20-16-30-24(25-20)18-4-2-1-3-5-18/h1-7,14,16-17H,8-13,15H2
InChIKeyUEAQSYGPPLVFST-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.21
Rot. Bonds5

About 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 99174160) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID99174160
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H24N2O4/c27-23(19-6-7-21-22(14-19)29-13-12-28-21)17-8-10-26(11-9-17)15-20-16-30-24(25-20)18-4-2-1-3-5-18/h1-7,14,16-17H,8-13,15H2
InChIKeyUEAQSYGPPLVFST-UHFFFAOYSA-N
XLogP4.21
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone (CID 99174160) is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone is O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is UEAQSYGPPLVFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-23(19-6-7-21-22(14-19)29-13-12-28-21)17-8-10-26(11-9-17)15-20-16-30-24(25-20)18-4-2-1-3-5-18/h1-7,14,16-17H,8-13,15H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 99174160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).