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

C20H21NO2 — CID 134940877

IUPAC(4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)(C)c1ccc(C2=N[C@H](c3ccccc3)CC(=O)O2)cc1
InChIInChI=1S/C20H21NO2/c1-20(2,3)16-11-9-15(10-12-16)19-21-17(13-18(22)23-19)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3/t17-/m0/s1
InChIKeySTHNWEQOHCHWJU-KRWDZBQOSA-N
MW307.39 g/mol
LogP4.42
Rot. Bonds2

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

(4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 134940877) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name(4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID134940877
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)(C)c1ccc(C2=N[C@H](c3ccccc3)CC(=O)O2)cc1
InChIInChI=1S/C20H21NO2/c1-20(2,3)16-11-9-15(10-12-16)19-21-17(13-18(22)23-19)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3/t17-/m0/s1
InChIKeySTHNWEQOHCHWJU-KRWDZBQOSA-N
XLogP4.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of (4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one (CID 134940877) is (4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for (4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for (4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one is CC(C)(C)c1ccc(C2=N[C@H](c3ccccc3)CC(=O)O2)cc1.
What is the InChIKey of (4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is STHNWEQOHCHWJU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2,3)16-11-9-15(10-12-16)19-21-17(13-18(22)23-19)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3/t17-/m0/s1.
What are the key properties of (4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one?
(4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 307.39 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-tert-butylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 134940877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).