(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C15H17NO3 — CID 101031105

IUPAC(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC/C=C/C(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-3-5-10-14(17)16-13(11-19-15(16)18)12-8-6-4-7-9-12/h4-10,13H,2-3,11H2,1H3/b10-5+/t13-/m1/s1
InChIKeyLVQGJSZLQRRLSO-ZQNFCJTASA-N
MW259.31 g/mol
LogP3.06
Rot. Bonds4

About (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101031105) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101031105
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC/C=C/C(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-3-5-10-14(17)16-13(11-19-15(16)18)12-8-6-4-7-9-12/h4-10,13H,2-3,11H2,1H3/b10-5+/t13-/m1/s1
InChIKeyLVQGJSZLQRRLSO-ZQNFCJTASA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.06
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

3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437
(4R)-3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10848742
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986
(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 170696027
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane
CID 144871050
(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
CID 134866525
(4R)-3-[(E)-3-(3-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 167227898
3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 175348980
(4R)-4-phenyl-3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68991695
(4S)-3-[(1S,2R)-1-butyl-2-phenylcyclopropanecarbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 139115424
3-[(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 6293644

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 101031105) is (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is CCC/C=C/C(=O)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LVQGJSZLQRRLSO-ZQNFCJTASA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-3-5-10-14(17)16-13(11-19-15(16)18)12-8-6-4-7-9-12/h4-10,13H,2-3,11H2,1H3/b10-5+/t13-/m1/s1.
What are the key properties of (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101031105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).