(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one

C13H15NO2 — CID 135030848

IUPAC(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)[C@@H]1CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C13H15NO2/c1-9(2)11-8-12(15)16-13(14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1
InChIKeyOKFKGHZFKSTPQD-NSHDSACASA-N
MW217.27 g/mol
LogP2.40
Rot. Bonds2

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

(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 135030848) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID135030848
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)[C@@H]1CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C13H15NO2/c1-9(2)11-8-12(15)16-13(14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1
InChIKeyOKFKGHZFKSTPQD-NSHDSACASA-N
XLogP2.40
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Azlactone
CID 65073
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
(4S, 5R) 5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid methyl ester
CID 719713
4-Isobutyl-2-phenyl-2-oxazoline-5-one
CID 2759384
(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6992728
2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
CID 46844549
2-(2,4-difluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 46919167
4-tert-butyl-2-(2,4-difluorophenyl)-4H-1,3-oxazol-5-one
CID 49765726

Frequently Asked Questions

What is the IUPAC name of (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one (CID 135030848) is (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one is CC(C)[C@@H]1CC(=O)OC(c2ccccc2)=N1.
What is the InChIKey of (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is OKFKGHZFKSTPQD-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)11-8-12(15)16-13(14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1.
What are the key properties of (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one?
(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 217.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 135030848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).