(4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one

C22H23NO2 — CID 11256077

IUPAC(4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one
SMILESCCCCC#CN1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO2/c1-2-3-4-11-16-23-20(17-25-22(23)24)21(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20-21H,2-4,17H2,1H3/t20-/m0/s1
InChIKeyDANYOXGSPDZFPY-FQEVSTJZSA-N
MW333.43 g/mol
LogP4.79
Rot. Bonds5

About (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one

(4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one (PubChem CID 11256077) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one
PubChem CID11256077
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one
SMILESCCCCC#CN1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO2/c1-2-3-4-11-16-23-20(17-25-22(23)24)21(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20-21H,2-4,17H2,1H3/t20-/m0/s1
InChIKeyDANYOXGSPDZFPY-FQEVSTJZSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-benzhydryl-3-hex-1-ynyl-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

Related Compounds

(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(4R)-4-(Diphenylmethyl)-1,3-oxazolidin-2-one
CID 9837924
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(S)-(-)-4-(Diphenylmethyl)-2-oxazolidinone
CID 16213632
4-Benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one
CID 11992672
(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone
CID 10966403
tert-butyl (2S)-2-[[(E)-8-(4-phenylphenyl)oct-7-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145971565
tert-butyl (2S)-2-[[(E)-10-(4-phenylphenyl)dec-9-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145973411

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one (CID 11256077) is (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one is CCCCC#CN1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one?
The InChIKey is DANYOXGSPDZFPY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23NO2/c1-2-3-4-11-16-23-20(17-25-22(23)24)21(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20-21H,2-4,17H2,1H3/t20-/m0/s1.
What are the key properties of (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one?
(4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzhydryl-3-hex-1-ynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11256077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).