(2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one

C24H21NO3 — CID 7311784

IUPAC(2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)=C(C)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H21NO3/c1-17-22(18-9-5-3-6-10-18)23(26)25(20-13-15-21(27-2)16-14-20)24(28-17)19-11-7-4-8-12-19/h3-16,24H,1-2H3/t24-/m0/s1
InChIKeyAWZDPBRLDOMWSU-DEOSSOPVSA-N
MW371.44 g/mol
LogP5.19
Rot. Bonds4

About (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one

(2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one (PubChem CID 7311784) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name(2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one
PubChem CID7311784
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)=C(C)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H21NO3/c1-17-22(18-9-5-3-6-10-18)23(26)25(20-13-15-21(27-2)16-14-20)24(28-17)19-11-7-4-8-12-19/h3-16,24H,1-2H3/t24-/m0/s1
InChIKeyAWZDPBRLDOMWSU-DEOSSOPVSA-N
XLogP5.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
ethyl (2S,3R)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085696
ethyl (2R,3S)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085695
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129428100
(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(1S,2R,4S,5R,6R)-5-iodo-7-(4-methoxyphenyl)-2-methyl-4-phenyl-3-oxa-7-azabicyclo[4.2.0]octan-8-one
CID 10003837

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one?
The IUPAC name of (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one (CID 7311784) is (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one is COc1ccc(N2C(=O)C(c3ccccc3)=C(C)O[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one?
The InChIKey is AWZDPBRLDOMWSU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21NO3/c1-17-22(18-9-5-3-6-10-18)23(26)25(20-13-15-21(27-2)16-14-20)24(28-17)19-11-7-4-8-12-19/h3-16,24H,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one?
(2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one has a molecular weight of 371.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 7311784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).