2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one

C20H21NO2 — CID 140989846

IUPAC2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one
SMILESCC1OC=C(c2ccccc2)C(=O)N1C(C)(C)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15-21(20(2,3)17-12-8-5-9-13-17)19(22)18(14-23-15)16-10-6-4-7-11-16/h4-15H,1-3H3
InChIKeyCKJZZQCPRXLTFY-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.17
Rot. Bonds3

About 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one

2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one (PubChem CID 140989846) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one
PubChem CID140989846
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one
SMILESCC1OC=C(c2ccccc2)C(=O)N1C(C)(C)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-15-21(20(2,3)17-12-8-5-9-13-17)19(22)18(14-23-15)16-10-6-4-7-11-16/h4-15H,1-3H3
InChIKeyCKJZZQCPRXLTFY-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one?
The IUPAC name of 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one (CID 140989846) is 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one.
What is the SMILES notation for 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one?
The canonical SMILES for 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one is CC1OC=C(c2ccccc2)C(=O)N1C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one?
The InChIKey is CKJZZQCPRXLTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-21(20(2,3)17-12-8-5-9-13-17)19(22)18(14-23-15)16-10-6-4-7-11-16/h4-15H,1-3H3.
What are the key properties of 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one?
2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one has a molecular weight of 307.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3-(2-phenylpropan-2-yl)-2H-1,3-oxazin-4-one is sourced from PubChem (CID 140989846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).