4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole

C20H20N2O2 — CID 3782418

IUPAC4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2COC(C3=NC(Cc4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-7-15(8-4-1)11-17-13-23-19(21-17)20-22-18(14-24-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyOIEQQWQZUYZCRJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.07
Rot. Bonds5

About 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole

4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 3782418) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID3782418
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2COC(C3=NC(Cc4ccccc4)CO3)=N2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-7-15(8-4-1)11-17-13-23-19(21-17)20-22-18(14-24-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyOIEQQWQZUYZCRJ-UHFFFAOYSA-N
XLogP3.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole (CID 3782418) is 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole is c1ccc(CC2COC(C3=NC(Cc4ccccc4)CO3)=N2)cc1.
What is the InChIKey of 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is OIEQQWQZUYZCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-7-15(8-4-1)11-17-13-23-19(21-17)20-22-18(14-24-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole?
4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 320.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3782418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).