(4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one

C18H17NO2 — CID 26790195

IUPAC(4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1/C=C/c1ccccc1
InChIInChI=1S/C18H17NO2/c20-18-19(12-11-15-7-3-1-4-8-15)17(14-21-18)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m0/s1
InChIKeyYGFAJXKIPURJCP-FLVLSHQESA-N
MW279.34 g/mol
LogP3.72
Rot. Bonds4

About (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 26790195) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID26790195
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1/C=C/c1ccccc1
InChIInChI=1S/C18H17NO2/c20-18-19(12-11-15-7-3-1-4-8-15)17(14-21-18)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m0/s1
InChIKeyYGFAJXKIPURJCP-FLVLSHQESA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 10774601
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4S)-4-benzyl-3-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]-1,3-oxazolidin-2-one
CID 102021010
(4R)-4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,3-oxazolidin-2-one
CID 166518455
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 22228455
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 26790195) is (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1/C=C/c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is YGFAJXKIPURJCP-FLVLSHQESA-N. The full InChI is InChI=1S/C18H17NO2/c20-18-19(12-11-15-7-3-1-4-8-15)17(14-21-18)13-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 26790195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).