4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one

C17H21NO4 — CID 123631805

IUPAC4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one
SMILESCCCC1CC(C(=O)N2C(=O)OCC2c2ccccc2)CO1
InChIInChI=1S/C17H21NO4/c1-2-6-14-9-13(10-21-14)16(19)18-15(11-22-17(18)20)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyNYQTWZXTHJGWKF-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.91
Rot. Bonds4

About 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one

4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 123631805) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one
PubChem CID123631805
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one
SMILESCCCC1CC(C(=O)N2C(=O)OCC2c2ccccc2)CO1
InChIInChI=1S/C17H21NO4/c1-2-6-14-9-13(10-21-14)16(19)18-15(11-22-17(18)20)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyNYQTWZXTHJGWKF-UHFFFAOYSA-N
XLogP2.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-3-(5-propyloxolane-3-carbonyl)-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

1-Benzyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione
CID 3128935
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4R)-4-benzyl-3-[(2R,3R,4S,6S)-3,7-dihydroxy-4-methoxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 137646396
(4R)-3-[(2R,3R,4S,6S)-7-azido-3,4-dimethoxy-2,6-dimethylheptanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 137658403
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(4S)-4-phenyl-3-[(3R)-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 10267335
(4R)-3-[(2R)-2-benzyl-3,3,3-trifluoropropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101535125
(4R)-3-[(2R)-2-cyclohexyl-3,3,3-trifluoropropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101535127
(4S)-3-[(3S)-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11161687
(3R,7aS)-7a-but-3-enyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 12154069
(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one
CID 14935662

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one (CID 123631805) is 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one is CCCC1CC(C(=O)N2C(=O)OCC2c2ccccc2)CO1.
What is the InChIKey of 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is NYQTWZXTHJGWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-2-6-14-9-13(10-21-14)16(19)18-15(11-22-17(18)20)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3.
What are the key properties of 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one?
4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(5-propyloxolane-3-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123631805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).