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

C13H15NO2 — CID 11042179

IUPAC(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
SMILESCC(C)[C@@H]1OC(=O)CN=C1c1ccccc1
InChIInChI=1S/C13H15NO2/c1-9(2)13-12(14-8-11(15)16-13)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3/t13-/m0/s1
InChIKeyANCPRVGGOZZKMO-ZDUSSCGKSA-N
MW217.27 g/mol
LogP2.06
Rot. Bonds2

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

(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one (PubChem CID 11042179) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
PubChem CID11042179
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
SMILESCC(C)[C@@H]1OC(=O)CN=C1c1ccccc1
InChIInChI=1S/C13H15NO2/c1-9(2)13-12(14-8-11(15)16-13)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3/t13-/m0/s1
InChIKeyANCPRVGGOZZKMO-ZDUSSCGKSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one?
The IUPAC name of (2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one (CID 11042179) is (2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for (2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one?
The canonical SMILES for (2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one is CC(C)[C@@H]1OC(=O)CN=C1c1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one?
The InChIKey is ANCPRVGGOZZKMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)13-12(14-8-11(15)16-13)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one?
(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one has a molecular weight of 217.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 11042179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).