(3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one

C15H19NO2 — CID 139254561

IUPAC(3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCCC(C)(C)C1=N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C15H19NO2/c1-4-15(2,3)13-14(17)18-10-12(16-13)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyUITRWCGHEWREOS-LBPRGKRZSA-N
MW245.32 g/mol
LogP3.16
Rot. Bonds3

About (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one

(3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 139254561) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name(3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID139254561
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCCC(C)(C)C1=N[C@H](c2ccccc2)COC1=O
InChIInChI=1S/C15H19NO2/c1-4-15(2,3)13-14(17)18-10-12(16-13)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyUITRWCGHEWREOS-LBPRGKRZSA-N
XLogP3.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 58508366
3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one
CID 15206016
chlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 24769983
dichlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 11294328
copper;bis(hexafluoroantimony(1-));(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 44517919
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol
CID 101488275
tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate
CID 166481987
copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
CID 10897782
(3R)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
CID 10749765
(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101265562
(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 138551056

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one (CID 139254561) is (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one is CCC(C)(C)C1=N[C@H](c2ccccc2)COC1=O.
What is the InChIKey of (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is UITRWCGHEWREOS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-15(2,3)13-14(17)18-10-12(16-13)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
(3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 245.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 139254561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).