2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone

C24H25N3O5 — CID 43049593

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc(CN3CCN(C(=O)C4COc5ccccc5O4)CC3)co2)cc1
InChIInChI=1S/C24H25N3O5/c1-29-19-8-6-17(7-9-19)23-25-18(15-31-23)14-26-10-12-27(13-11-26)24(28)22-16-30-20-4-2-3-5-21(20)32-22/h2-9,15,22H,10-14,16H2,1H3
InChIKeyWWZOFRFPDUBXEZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.83
Rot. Bonds5

About 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone

2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 43049593) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
PubChem CID43049593
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc(CN3CCN(C(=O)C4COc5ccccc5O4)CC3)co2)cc1
InChIInChI=1S/C24H25N3O5/c1-29-19-8-6-17(7-9-19)23-25-18(15-31-23)14-26-10-12-27(13-11-26)24(28)22-16-30-20-4-2-3-5-21(20)32-22/h2-9,15,22H,10-14,16H2,1H3
InChIKeyWWZOFRFPDUBXEZ-UHFFFAOYSA-N
XLogP2.83
TPSA77.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (CID 43049593) is 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is COc1ccc(-c2nc(CN3CCN(C(=O)C4COc5ccccc5O4)CC3)co2)cc1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is WWZOFRFPDUBXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-29-19-8-6-17(7-9-19)23-25-18(15-31-23)14-26-10-12-27(13-11-26)24(28)22-16-30-20-4-2-3-5-21(20)32-22/h2-9,15,22H,10-14,16H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 435.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 43049593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).