3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one

C15H21NO2 — CID 101260868

IUPAC3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one
SMILESCCCCN1CCC(c2ccc(C)cc2)OC1=O
InChIInChI=1S/C15H21NO2/c1-3-4-10-16-11-9-14(18-15(16)17)13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyWMBTVUSFDFQCHP-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.68
Rot. Bonds4

About 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one

3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 101260868) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one
PubChem CID101260868
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one
SMILESCCCCN1CCC(c2ccc(C)cc2)OC1=O
InChIInChI=1S/C15H21NO2/c1-3-4-10-16-11-9-14(18-15(16)17)13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyWMBTVUSFDFQCHP-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
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6-(4-methylphenyl)-3-octyloxan-2-one
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6-(aminomethyl)-3-pentyl-1,3-oxazinan-2-one
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6-(4-bromophenyl)-3-methyl-1,3-oxazinan-2-one
CID 83903277
(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
CID 101240736
(6S)-6-(3-fluoro-4-methylphenyl)-3-methyl-1,3-oxazinan-2-one
CID 143505729
3-(3-aminopropyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82084036
1-butyl-3-fluoropyrrolidin-2-one
CID 45088613
3-hydroxy-1-pentylpyrrolidin-2-one
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1-butyl-3-propan-2-ylpyrrolidin-2-one
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1,3-dibutylimidazolidin-2-one
CID 20887
6-dodecyl-2-hydroxy-4,8-bis(4-methylphenyl)-1,3,6,2-dioxazaborocane
CID 15607145

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one (CID 101260868) is 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one is CCCCN1CCC(c2ccc(C)cc2)OC1=O.
What is the InChIKey of 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is WMBTVUSFDFQCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-4-10-16-11-9-14(18-15(16)17)13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one?
3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 101260868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).