3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one

C23H27NO3 — CID 177182685

IUPAC3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one
SMILESCC(C)c1cccc(C(C)CC2OC(=O)CN2C(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H27NO3/c1-16(2)19-10-7-11-20(14-19)17(3)12-22-24(15-23(26)27-22)21(25)13-18-8-5-4-6-9-18/h4-11,14,16-17,22H,12-13,15H2,1-3H3
InChIKeyZZSWZWGLDLNIOQ-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.26
Rot. Bonds6

About 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one

3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one (PubChem CID 177182685) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one
PubChem CID177182685
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one
SMILESCC(C)c1cccc(C(C)CC2OC(=O)CN2C(=O)Cc2ccccc2)c1
InChIInChI=1S/C23H27NO3/c1-16(2)19-10-7-11-20(14-19)17(3)12-22-24(15-23(26)27-22)21(25)13-18-8-5-4-6-9-18/h4-11,14,16-17,22H,12-13,15H2,1-3H3
InChIKeyZZSWZWGLDLNIOQ-UHFFFAOYSA-N
XLogP4.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one?
The IUPAC name of 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one (CID 177182685) is 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one.
What is the SMILES notation for 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one?
The canonical SMILES for 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one is CC(C)c1cccc(C(C)CC2OC(=O)CN2C(=O)Cc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one?
The InChIKey is ZZSWZWGLDLNIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-16(2)19-10-7-11-20(14-19)17(3)12-22-24(15-23(26)27-22)21(25)13-18-8-5-4-6-9-18/h4-11,14,16-17,22H,12-13,15H2,1-3H3.
What are the key properties of 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one?
3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one has a molecular weight of 365.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylacetyl)-2-[2-(3-propan-2-ylphenyl)propyl]-1,3-oxazolidin-5-one is sourced from PubChem (CID 177182685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).