6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one

C12H13NO3 — CID 101450898

IUPAC6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one
SMILESCC1=CCN(OCc2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO3/c1-10-7-8-13(12(14)16-10)15-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
InChIKeyWJGBLAAFYXKRMX-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.47
Rot. Bonds3

About 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one

6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one (PubChem CID 101450898) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one.

Molecular Properties

Compound Name6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one
PubChem CID101450898
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one
SMILESCC1=CCN(OCc2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO3/c1-10-7-8-13(12(14)16-10)15-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
InChIKeyWJGBLAAFYXKRMX-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid
CID 57067292
3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
CID 69151134
(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
CID 131201426
5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole
CID 141145466
3-(2-phenylethyl)-1-phenylmethoxyazetidin-2-one
CID 118225756
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one
CID 23052513
3-phenylmethoxy-1-propyl-4H-quinazolin-2-one
CID 174994528
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
1-benzyl-5-methyl-3a-phenylmethoxy-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one
CID 10154937
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
2,5,7,8-tetramethyl-6-phenylmethoxy-4H-chromene
CID 10108511

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one?
The IUPAC name of 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one (CID 101450898) is 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one.
What is the SMILES notation for 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one?
The canonical SMILES for 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one is CC1=CCN(OCc2ccccc2)C(=O)O1.
What is the InChIKey of 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one?
The InChIKey is WJGBLAAFYXKRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-10-7-8-13(12(14)16-10)15-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3.
What are the key properties of 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one?
6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one has a molecular weight of 219.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one is sourced from PubChem (CID 101450898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).