(4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

C19H17NO3 — CID 14979201

IUPAC(4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H17NO3/c1-14-18(16-10-6-3-7-11-16)23-19(22)20(14)17(21)13-12-15-8-4-2-5-9-15/h2-14,18H,1H3/b13-12+/t14-,18-/m0/s1
InChIKeyGHIOEFKDVQJFHP-RMCBBKKWSA-N
MW307.35 g/mol
LogP3.81
Rot. Bonds3

About (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one

(4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 14979201) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID14979201
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H17NO3/c1-14-18(16-10-6-3-7-11-16)23-19(22)20(14)17(21)13-12-15-8-4-2-5-9-15/h2-14,18H,1H3/b13-12+/t14-,18-/m0/s1
InChIKeyGHIOEFKDVQJFHP-RMCBBKKWSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.81
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 (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one (CID 14979201) is (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)/C=C/c1ccccc1.
What is the InChIKey of (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is GHIOEFKDVQJFHP-RMCBBKKWSA-N. The full InChI is InChI=1S/C19H17NO3/c1-14-18(16-10-6-3-7-11-16)23-19(22)20(14)17(21)13-12-15-8-4-2-5-9-15/h2-14,18H,1H3/b13-12+/t14-,18-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14979201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).