(4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

C14H17NO2 — CID 135031143

IUPAC(4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)(C)[C@@H]1CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C14H17NO2/c1-14(2,3)11-9-12(16)17-13(15-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyOOTKEUDCSXUKEY-NSHDSACASA-N
MW231.29 g/mol
LogP2.79
Rot. Bonds1

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

(4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 135031143) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID135031143
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)(C)[C@@H]1CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C14H17NO2/c1-14(2,3)11-9-12(16)17-13(15-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyOOTKEUDCSXUKEY-NSHDSACASA-N
XLogP2.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of (4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (CID 135031143) is (4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for (4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for (4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is CC(C)(C)[C@@H]1CC(=O)OC(c2ccccc2)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is OOTKEUDCSXUKEY-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)11-9-12(16)17-13(15-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
(4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 231.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 135031143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).