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

C18H17NO2 — CID 11312005

IUPAC(4R)-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-/m1/s1
InChIKeyYGFAJXKIPURJCP-FMQWLBJXSA-N
MW279.34 g/mol
LogP3.72
Rot. Bonds4

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

(4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 11312005) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID11312005
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(4R)-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-/m1/s1
InChIKeyYGFAJXKIPURJCP-FMQWLBJXSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 11312005) is (4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-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 (4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is YGFAJXKIPURJCP-FMQWLBJXSA-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-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
(4R)-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 (4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11312005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).