5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one

C21H21NO3 — CID 5251096

IUPAC5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)C1C(C)C
InChIInChI=1S/C21H21NO3/c1-4-18(23)22-19(15(2)3)21(25-20(22)24,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h4-15,19H,1H2,2-3H3
InChIKeyMHVGWURQTRXWAH-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.12
Rot. Bonds4

About 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one

5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one (PubChem CID 5251096) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
PubChem CID5251096
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)C1C(C)C
InChIInChI=1S/C21H21NO3/c1-4-18(23)22-19(15(2)3)21(25-20(22)24,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h4-15,19H,1H2,2-3H3
InChIKeyMHVGWURQTRXWAH-UHFFFAOYSA-N
XLogP4.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one (CID 5251096) is 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one is C=CC(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)C1C(C)C.
What is the InChIKey of 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The InChIKey is MHVGWURQTRXWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-4-18(23)22-19(15(2)3)21(25-20(22)24,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h4-15,19H,1H2,2-3H3.
What are the key properties of 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one has a molecular weight of 335.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 5251096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).