(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one

C20H23NO2 — CID 101240736

IUPAC(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
SMILESCCCCN1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C20H23NO2/c1-2-3-14-21-15-18(16-10-6-4-7-11-16)19(23-20(21)22)17-12-8-5-9-13-17/h4-13,18-19H,2-3,14-15H2,1H3/t18-,19+/m0/s1
InChIKeyZYHKWKQSLHWMBH-RBUKOAKNSA-N
MW309.41 g/mol
LogP4.76
Rot. Bonds5

About (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one

(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one (PubChem CID 101240736) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
PubChem CID101240736
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one
SMILESCCCCN1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C20H23NO2/c1-2-3-14-21-15-18(16-10-6-4-7-11-16)19(23-20(21)22)17-12-8-5-9-13-17/h4-13,18-19H,2-3,14-15H2,1H3/t18-,19+/m0/s1
InChIKeyZYHKWKQSLHWMBH-RBUKOAKNSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57099004
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3-butyl-5-phenylimidazolidin-4-one
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5-(phenylmethoxymethyl)-3-undecyl-1,3-oxazolidin-2-one
CID 2793780
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
N-[2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)ethyl]butanamide
CID 110707104
(4R,5S)-4-methyl-3-[(2R)-2-methylheptanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 69090577
3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one
CID 101260868
1-butyl-3,4-diphenylpiperidine;hydrochloride
CID 3030420
2-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl)octanoic acid
CID 142774649
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CID 102598648

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one?
The IUPAC name of (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one (CID 101240736) is (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one?
The canonical SMILES for (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one is CCCCN1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)OC1=O.
What is the InChIKey of (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one?
The InChIKey is ZYHKWKQSLHWMBH-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-3-14-21-15-18(16-10-6-4-7-11-16)19(23-20(21)22)17-12-8-5-9-13-17/h4-13,18-19H,2-3,14-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one?
(5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one has a molecular weight of 309.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-3-butyl-5,6-diphenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 101240736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).