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

C23H19NO2 — CID 7311788

IUPAC(2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C23H19NO2/c1-17-21(18-11-5-2-6-12-18)22(25)24(20-15-9-4-10-16-20)23(26-17)19-13-7-3-8-14-19/h2-16,23H,1H3/t23-/m0/s1
InChIKeyKOWLVLGMIJSAMF-QHCPKHFHSA-N
MW341.41 g/mol
LogP5.18
Rot. Bonds3

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

(2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one (PubChem CID 7311788) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name(2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one
PubChem CID7311788
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C23H19NO2/c1-17-21(18-11-5-2-6-12-18)22(25)24(20-15-9-4-10-16-20)23(26-17)19-13-7-3-8-14-19/h2-16,23H,1H3/t23-/m0/s1
InChIKeyKOWLVLGMIJSAMF-QHCPKHFHSA-N
XLogP5.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2786126
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N-benzyl-2-(2-methoxyphenyl)-N-(p-tolyl)acetamide
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3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,N-dimethylbenzamide
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1-{4-[[2-(Diethylamino)ethyl](methyl)amino]phenyl}-4-(benzyloxy)-pyridin-2(1H)-one
CID 53318595
methyl-4'-[(N-phenylpentanamido)methyl]biphenyl-2-carboxylate
CID 118432349
2,6-Dimethyl-2-(4-methylpent-3-enyl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 44559726
Orijanone
CID 10778640
N-metilatanina
CID 15460082
N-Methylschinifoline
CID 101652163
1-methyl-4-(4-oxo-4-piperidin-1-ylbutoxy)quinolin-2(1H)-one
CID 3242172
benzyl N-[4-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)phenyl]carbamate
CID 24851540

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one?
The IUPAC name of (2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one (CID 7311788) is (2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for (2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for (2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one?
The InChIKey is KOWLVLGMIJSAMF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19NO2/c1-17-21(18-11-5-2-6-12-18)22(25)24(20-15-9-4-10-16-20)23(26-17)19-13-7-3-8-14-19/h2-16,23H,1H3/t23-/m0/s1.
What are the key properties of (2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one?
(2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one has a molecular weight of 341.41 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-2,3,5-triphenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 7311788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).