(4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one

C19H17NO2 — CID 12062006

IUPAC(4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CN1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2/c1-2-13-20-17(14-22-19(20)21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18H,1,14H2/t17-/m0/s1
InChIKeyVYMLNEVDRQOXOQ-KRWDZBQOSA-N
MW291.35 g/mol
LogP3.94
Rot. Bonds4

About (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one

(4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one (PubChem CID 12062006) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one
PubChem CID12062006
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CN1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2/c1-2-13-20-17(14-22-19(20)21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18H,1,14H2/t17-/m0/s1
InChIKeyVYMLNEVDRQOXOQ-KRWDZBQOSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one (CID 12062006) is (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one is C=C=CN1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The InChIKey is VYMLNEVDRQOXOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17NO2/c1-2-13-20-17(14-22-19(20)21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,17-18H,1,14H2/t17-/m0/s1.
What are the key properties of (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
(4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzhydryl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12062006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).