3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one

C16H13NO2 — CID 15206016

IUPAC3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESO=C1OCC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-15(13-9-5-2-6-10-13)17-14(11-19-16)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyJGDBTEJQJXTQBM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.77
Rot. Bonds2

About 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one

3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 15206016) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID15206016
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESO=C1OCC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-15(13-9-5-2-6-10-13)17-14(11-19-16)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyJGDBTEJQJXTQBM-UHFFFAOYSA-N
XLogP2.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 58508366
(3R)-5-(2-methylbutan-2-yl)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
CID 139254561
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
(3R)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
CID 10749765
(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 164886351
(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 166067950
4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
CID 89120771
1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
CID 72964471
CID 72964471
12,25-diphenyl-4,7,17,20-tetraoxa-28,29,31,32-tetrazaheptacyclo[21.3.1.12,5.16,9.110,14.115,18.119,22]dotriaconta-1(27),5(32),6(31),10(30),11,13,18(29),19(28),23,25-decaene
CID 166018407
4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
CID 149432517
2-naphthalen-2-yl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14919448

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one (CID 15206016) is 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one is O=C1OCC(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is JGDBTEJQJXTQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-15(13-9-5-2-6-10-13)17-14(11-19-16)12-7-3-1-4-8-12/h1-10,14H,11H2.
What are the key properties of 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one?
3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 251.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 15206016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).