furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone

C20H21N3O3 — CID 55544345

IUPACfuran-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-4-6-16(7-5-15)19-21-17(14-26-19)13-22-8-10-23(11-9-22)20(24)18-3-2-12-25-18/h2-7,12,14H,8-11,13H2,1H3
InChIKeyRQPHJRWJXIAVAU-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.20
Rot. Bonds4

About furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 55544345) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
PubChem CID55544345
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Namefuran-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-4-6-16(7-5-15)19-21-17(14-26-19)13-22-8-10-23(11-9-22)20(24)18-3-2-12-25-18/h2-7,12,14H,8-11,13H2,1H3
InChIKeyRQPHJRWJXIAVAU-UHFFFAOYSA-N
XLogP3.20
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (CID 55544345) is furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)cc1.
What is the InChIKey of furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is RQPHJRWJXIAVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15-4-6-16(7-5-15)19-21-17(14-26-19)13-22-8-10-23(11-9-22)20(24)18-3-2-12-25-18/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55544345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).