4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C25H23N3O2 — CID 12973623

IUPAC4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2COC(c3cccc(C4=NC(Cc5ccccc5)CO4)n3)=N2)cc1
InChIInChI=1S/C25H23N3O2/c1-3-8-18(9-4-1)14-20-16-29-24(26-20)22-12-7-13-23(28-22)25-27-21(17-30-25)15-19-10-5-2-6-11-19/h1-13,20-21H,14-17H2
InChIKeyZBONTXCYJLVGLR-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.86
Rot. Bonds6

About 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 12973623) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID12973623
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2COC(c3cccc(C4=NC(Cc5ccccc5)CO4)n3)=N2)cc1
InChIInChI=1S/C25H23N3O2/c1-3-8-18(9-4-1)14-20-16-29-24(26-20)22-12-7-13-23(28-22)25-27-21(17-30-25)15-19-10-5-2-6-11-19/h1-13,20-21H,14-17H2
InChIKeyZBONTXCYJLVGLR-UHFFFAOYSA-N
XLogP3.86
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 12973623) is 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc(CC2COC(c3cccc(C4=NC(Cc5ccccc5)CO4)n3)=N2)cc1.
What is the InChIKey of 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZBONTXCYJLVGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-3-8-18(9-4-1)14-20-16-29-24(26-20)22-12-7-13-23(28-22)25-27-21(17-30-25)15-19-10-5-2-6-11-19/h1-13,20-21H,14-17H2.
What are the key properties of 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 397.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[6-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12973623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).