(4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C21H23NO3 — CID 11024201

IUPAC(4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C(O)=C/Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23NO3/c1-15(2)19-14-25-21(24)22(19)20(23)13-10-16-8-11-18(12-9-16)17-6-4-3-5-7-17/h3-9,11-13,15,19,23H,10,14H2,1-2H3/b20-13-/t19-/m1/s1
InChIKeyDWMIWUGDKNNOGG-PQDCBLBRSA-N
MW337.42 g/mol
LogP4.77
Rot. Bonds5

About (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11024201) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11024201
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C(O)=C/Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23NO3/c1-15(2)19-14-25-21(24)22(19)20(23)13-10-16-8-11-18(12-9-16)17-6-4-3-5-7-17/h3-9,11-13,15,19,23H,10,14H2,1-2H3/b20-13-/t19-/m1/s1
InChIKeyDWMIWUGDKNNOGG-PQDCBLBRSA-N
XLogP4.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11024201) is (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1/C(O)=C/Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DWMIWUGDKNNOGG-PQDCBLBRSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15(2)19-14-25-21(24)22(19)20(23)13-10-16-8-11-18(12-9-16)17-6-4-3-5-7-17/h3-9,11-13,15,19,23H,10,14H2,1-2H3/b20-13-/t19-/m1/s1.
What are the key properties of (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11024201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).