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

C15H19NO3 — CID 10467836

IUPAC(4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C(O)=C/Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12/h3-7,9,11,13,17H,8,10H2,1-2H3/b14-9-/t13-/m1/s1
InChIKeyLHTOWFUUVKRPOE-CKXDQPNJSA-N
MW261.32 g/mol
LogP3.11
Rot. Bonds4

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

(4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10467836) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10467836
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C(O)=C/Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12/h3-7,9,11,13,17H,8,10H2,1-2H3/b14-9-/t13-/m1/s1
InChIKeyLHTOWFUUVKRPOE-CKXDQPNJSA-N
XLogP3.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.11
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-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10467836) is (4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1/C(O)=C/Cc1ccccc1.
What is the InChIKey of (4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LHTOWFUUVKRPOE-CKXDQPNJSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12/h3-7,9,11,13,17H,8,10H2,1-2H3/b14-9-/t13-/m1/s1.
What are the key properties of (4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 3.11, 4 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-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10467836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).