2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C23H24N2O2 — CID 70295482

IUPAC2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(c1ccccc1)c1ccc(CCC2Cn3ccc(=O)nc3O2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,18-6-4-3-5-7-18)19-11-8-17(9-12-19)10-13-20-16-25-15-14-21(26)24-22(25)27-20/h3-9,11-12,14-15,20H,10,13,16H2,1-2H3
InChIKeyJVOAPMYQMINSRE-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.96
Rot. Bonds5

About 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 70295482) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID70295482
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(c1ccccc1)c1ccc(CCC2Cn3ccc(=O)nc3O2)cc1
InChIInChI=1S/C23H24N2O2/c1-23(2,18-6-4-3-5-7-18)19-11-8-17(9-12-19)10-13-20-16-25-15-14-21(26)24-22(25)27-20/h3-9,11-12,14-15,20H,10,13,16H2,1-2H3
InChIKeyJVOAPMYQMINSRE-UHFFFAOYSA-N
XLogP3.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 70295482) is 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is CC(C)(c1ccccc1)c1ccc(CCC2Cn3ccc(=O)nc3O2)cc1.
What is the InChIKey of 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is JVOAPMYQMINSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2,18-6-4-3-5-7-18)19-11-8-17(9-12-19)10-13-20-16-25-15-14-21(26)24-22(25)27-20/h3-9,11-12,14-15,20H,10,13,16H2,1-2H3.
What are the key properties of 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 360.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-phenylpropan-2-yl)phenyl]ethyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 70295482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).