4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one

C19H21NO3 — CID 110746632

IUPAC4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one
SMILESO=C(CCCOc1ccccc1)N1COC(c2ccccc2)C1
InChIInChI=1S/C19H21NO3/c21-19(12-7-13-22-17-10-5-2-6-11-17)20-14-18(23-15-20)16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2
InChIKeyVDGKXDVVVKDOJB-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.40
Rot. Bonds6

About 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one

4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one (PubChem CID 110746632) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one.

Molecular Properties

Compound Name4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one
PubChem CID110746632
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one
SMILESO=C(CCCOc1ccccc1)N1COC(c2ccccc2)C1
InChIInChI=1S/C19H21NO3/c21-19(12-7-13-22-17-10-5-2-6-11-17)20-14-18(23-15-20)16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2
InChIKeyVDGKXDVVVKDOJB-UHFFFAOYSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110364018
2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 97015199
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-phenoxybutan-1-one
CID 27473703
2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740456
1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 44765669
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-phenoxybutanamide
CID 155494372
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
(2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one
CID 99791305
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 91784644

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one?
The IUPAC name of 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one (CID 110746632) is 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one.
What is the SMILES notation for 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one?
The canonical SMILES for 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one is O=C(CCCOc1ccccc1)N1COC(c2ccccc2)C1.
What is the InChIKey of 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one?
The InChIKey is VDGKXDVVVKDOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(12-7-13-22-17-10-5-2-6-11-17)20-14-18(23-15-20)16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2.
What are the key properties of 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one?
4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one has a molecular weight of 311.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one is sourced from PubChem (CID 110746632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).