(5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one

C15H19NO2 — CID 24881620

IUPAC(5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one
SMILESC[C@H]1CN=C(c2ccc(C(C)(C)C)cc2)OC1=O
InChIInChI=1S/C15H19NO2/c1-10-9-16-13(18-14(10)17)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyCCQPHQWUTMTGHC-JTQLQIEISA-N
MW245.32 g/mol
LogP2.92
Rot. Bonds1

About (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one

(5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 24881620) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name(5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID24881620
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one
SMILESC[C@H]1CN=C(c2ccc(C(C)(C)C)cc2)OC1=O
InChIInChI=1S/C15H19NO2/c1-10-9-16-13(18-14(10)17)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyCCQPHQWUTMTGHC-JTQLQIEISA-N
XLogP2.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one (CID 24881620) is (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one is C[C@H]1CN=C(c2ccc(C(C)(C)C)cc2)OC1=O.
What is the InChIKey of (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is CCQPHQWUTMTGHC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-9-16-13(18-14(10)17)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,9H2,1-4H3/t10-/m0/s1.
What are the key properties of (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one?
(5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 245.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 24881620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).