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

C23H27N3O3 — CID 56658868

IUPAC[4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)(C)c1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)cc1
InChIInChI=1S/C23H27N3O3/c1-23(2,3)18-8-6-17(7-9-18)21-24-19(16-29-21)15-25-10-12-26(13-11-25)22(27)20-5-4-14-28-20/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyIBICTEDJWMJKPL-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.19
Rot. Bonds4

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

[4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 56658868) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID56658868
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)(C)c1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)cc1
InChIInChI=1S/C23H27N3O3/c1-23(2,3)18-8-6-17(7-9-18)21-24-19(16-29-21)15-25-10-12-26(13-11-25)22(27)20-5-4-14-28-20/h4-9,14,16H,10-13,15H2,1-3H3
InChIKeyIBICTEDJWMJKPL-UHFFFAOYSA-N
XLogP4.19
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 56658868) is [4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is CC(C)(C)c1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)cc1.
What is the InChIKey of [4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is IBICTEDJWMJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-23(2,3)18-8-6-17(7-9-18)21-24-19(16-29-21)15-25-10-12-26(13-11-25)22(27)20-5-4-14-28-20/h4-9,14,16H,10-13,15H2,1-3H3.
What are the key properties of [4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 393.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 56658868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).