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

C20H21N3O3 — CID 56658080

IUPACfuran-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)c1
InChIInChI=1S/C20H21N3O3/c1-15-4-2-5-16(12-15)19-21-17(14-26-19)13-22-7-9-23(10-8-22)20(24)18-6-3-11-25-18/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyMXLIPYMNBFRWCD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.20
Rot. Bonds4

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

furan-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 56658080) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is furan-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
PubChem CID56658080
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Namefuran-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)c1
InChIInChI=1S/C20H21N3O3/c1-15-4-2-5-16(12-15)19-21-17(14-26-19)13-22-7-9-23(10-8-22)20(24)18-6-3-11-25-18/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyMXLIPYMNBFRWCD-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-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone (CID 56658080) is furan-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is Cc1cccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)c1.
What is the InChIKey of furan-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is MXLIPYMNBFRWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15-4-2-5-16(12-15)19-21-17(14-26-19)13-22-7-9-23(10-8-22)20(24)18-6-3-11-25-18/h2-6,11-12,14H,7-10,13H2,1H3.
What are the key properties of furan-2-yl-[4-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[2-(3-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-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56658080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).