(4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one

C20H21NO2 — CID 11358726

IUPAC(4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H](/C(=C/N1C(=O)OC[C@H]1C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15-14-23-20(22)21(15)13-19(18-11-7-4-8-12-18)16(2)17-9-5-3-6-10-17/h3-13,15-16H,14H2,1-2H3/b19-13-/t15-,16+/m1/s1
InChIKeyDZWCFBODDJXTSH-CKCVYMDASA-N
MW307.39 g/mol
LogP4.67
Rot. Bonds4

About (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one

(4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 11358726) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID11358726
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H](/C(=C/N1C(=O)OC[C@H]1C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15-14-23-20(22)21(15)13-19(18-11-7-4-8-12-18)16(2)17-9-5-3-6-10-17/h3-13,15-16H,14H2,1-2H3/b19-13-/t15-,16+/m1/s1
InChIKeyDZWCFBODDJXTSH-CKCVYMDASA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one (CID 11358726) is (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one is C[C@H](/C(=C/N1C(=O)OC[C@H]1C)c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is DZWCFBODDJXTSH-CKCVYMDASA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-14-23-20(22)21(15)13-19(18-11-7-4-8-12-18)16(2)17-9-5-3-6-10-17/h3-13,15-16H,14H2,1-2H3/b19-13-/t15-,16+/m1/s1.
What are the key properties of (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11358726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).