(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C14H15NO3 — CID 91169232

IUPAC(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC=CC(=O)N1C(=O)O[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C14H15NO3/c1-3-7-12(16)15-10(2)13(18-14(15)17)11-8-5-4-6-9-11/h3-10,13H,1-2H3/t10-,13+/m1/s1
InChIKeyOWXHDOIFLLGSQV-MFKMUULPSA-N
MW245.28 g/mol
LogP2.67
Rot. Bonds2

About (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 91169232) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID91169232
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC=CC(=O)N1C(=O)O[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C14H15NO3/c1-3-7-12(16)15-10(2)13(18-14(15)17)11-8-5-4-6-9-11/h3-10,13H,1-2H3/t10-,13+/m1/s1
InChIKeyOWXHDOIFLLGSQV-MFKMUULPSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.67
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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Related Compounds

(4S,5R)-3-[(E)-but-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11806905
(4R,5S)-4-methyl-5-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10944289
(5S,6S)-3-[(E)-but-2-enoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
CID 10934644
(4S,5R)-3-[(Z)-1-hydroxyprop-1-enyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 132917281
3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 69375520
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
(4R,5S)-4-methyl-3-(2-methylsulfanylacetyl)-5-phenyl-1,3-oxazolidin-2-one
CID 11832333
(4R,5S)-4-methyl-5-phenyl-3-[(Z)-5-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 11079051
(4R,5S)-4-methyl-3-(4-methylpenta-2,3-dien-2-yl)-5-phenyl-1,3-oxazolidin-2-one
CID 139264012
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
(4R,5S)-3-(2-ethoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13438718
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 91169232) is (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CC=CC(=O)N1C(=O)O[C@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is OWXHDOIFLLGSQV-MFKMUULPSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-7-12(16)15-10(2)13(18-14(15)17)11-8-5-4-6-9-11/h3-10,13H,1-2H3/t10-,13+/m1/s1.
What are the key properties of (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 91169232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).