(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one

C19H19NO2 — CID 6871923

IUPAC(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C\[C@@H]1OC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-2-9-17-18(16-12-7-4-8-13-16)20(19(21)22-17)14-15-10-5-3-6-11-15/h2-13,17-18H,14H2,1H3/b9-2-/t17-,18-/m0/s1
InChIKeyMXBMGEWNHKBTSP-LCFGPSSBSA-N
MW293.37 g/mol
LogP4.32
Rot. Bonds4

About (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one

(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 6871923) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID6871923
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C\[C@@H]1OC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-2-9-17-18(16-12-7-4-8-13-16)20(19(21)22-17)14-15-10-5-3-6-11-15/h2-13,17-18H,14H2,1H3/b9-2-/t17-,18-/m0/s1
InChIKeyMXBMGEWNHKBTSP-LCFGPSSBSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(4R)-3-benzyl-4-[(1Z,3E)-penta-1,3-dienyl]-1,3-oxazolidin-2-one
CID 10514378
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione
CID 11020718
(3aR,7aS)-3-benzyl-3a,4,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 15530655
(4S,5S)-3-benzyl-4-[(E)-3-methylbut-1-enyl]-5-propan-2-yl-1,3-oxazolidin-2-one
CID 11044401
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
3-benzyl-4,6,7,7a-tetrahydro-3aH-1,3-benzoxazole-2,5-dione
CID 89439989
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 146267205
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one (CID 6871923) is (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one is C/C=C\[C@@H]1OC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is MXBMGEWNHKBTSP-LCFGPSSBSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-9-17-18(16-12-7-4-8-13-16)20(19(21)22-17)14-15-10-5-3-6-11-15/h2-13,17-18H,14H2,1H3/b9-2-/t17-,18-/m0/s1.
What are the key properties of (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one?
(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 6871923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).