4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

C25H19N3O2 — CID 56961463

IUPAC4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2ccccc2)C(c2cccc(-c3cnoc3)c2)N1
InChIInChI=1S/C25H19N3O2/c29-25-27-23(18-10-5-2-6-11-18)22(17-8-3-1-4-9-17)24(28-25)20-13-7-12-19(14-20)21-15-26-30-16-21/h1-16,24H,(H2,27,28,29)
InChIKeyGRFHRGAGUVHRFG-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.26
Rot. Bonds4

About 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 56961463) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID56961463
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2ccccc2)C(c2cccc(-c3cnoc3)c2)N1
InChIInChI=1S/C25H19N3O2/c29-25-27-23(18-10-5-2-6-11-18)22(17-8-3-1-4-9-17)24(28-25)20-13-7-12-19(14-20)21-15-26-30-16-21/h1-16,24H,(H2,27,28,29)
InChIKeyGRFHRGAGUVHRFG-UHFFFAOYSA-N
XLogP5.26
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 56961463) is 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C(c2ccccc2)C(c2cccc(-c3cnoc3)c2)N1.
What is the InChIKey of 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is GRFHRGAGUVHRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-25-27-23(18-10-5-2-6-11-18)22(17-8-3-1-4-9-17)24(28-25)20-13-7-12-19(14-20)21-15-26-30-16-21/h1-16,24H,(H2,27,28,29).
What are the key properties of 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 393.45 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2-oxazol-4-yl)phenyl]-5,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 56961463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).