(4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one

C17H23NO2 — CID 134963709

IUPAC(4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)[C@H]1CC(=O)OC(c2ccc(C(C)(C)C)cc2)=N1
InChIInChI=1S/C17H23NO2/c1-11(2)14-10-15(19)20-16(18-14)12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3/t14-/m1/s1
InChIKeyNKQXECFCAUOKJZ-CQSZACIVSA-N
MW273.38 g/mol
LogP3.70
Rot. Bonds2

About (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one

(4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 134963709) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name(4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID134963709
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)[C@H]1CC(=O)OC(c2ccc(C(C)(C)C)cc2)=N1
InChIInChI=1S/C17H23NO2/c1-11(2)14-10-15(19)20-16(18-14)12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3/t14-/m1/s1
InChIKeyNKQXECFCAUOKJZ-CQSZACIVSA-N
XLogP3.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one (CID 134963709) is (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one is CC(C)[C@H]1CC(=O)OC(c2ccc(C(C)(C)C)cc2)=N1.
What is the InChIKey of (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is NKQXECFCAUOKJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)14-10-15(19)20-16(18-14)12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3/t14-/m1/s1.
What are the key properties of (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one?
(4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 273.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-tert-butylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 134963709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).