(6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one

C20H21NO3 — CID 102031964

IUPAC(6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one
SMILESCOC[C@]1(C)OC(=O)C(Cc2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(14-23-2)18(16-11-7-4-8-12-16)21-17(19(22)24-20)13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3/t17?,20-/m0/s1
InChIKeyDLDJCPCFFXOYDW-OZBJMMHXSA-N
MW323.39 g/mol
LogP3.05
Rot. Bonds5

About (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one

(6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one (PubChem CID 102031964) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one.

Molecular Properties

Compound Name(6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one
PubChem CID102031964
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one
SMILESCOC[C@]1(C)OC(=O)C(Cc2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-20(14-23-2)18(16-11-7-4-8-12-16)21-17(19(22)24-20)13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3/t17?,20-/m0/s1
InChIKeyDLDJCPCFFXOYDW-OZBJMMHXSA-N
XLogP3.05
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-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

Ethyl 2-[(diphenylmethylidene)amino]-5,5,6,6,7,7,8,8,8-nonafluorooctanoate
CID 14369844
methyl 2-[(Z)-benzylidene(oxido)amino]-3-phenylpropanoate
CID 44339677
(2S,4aS)-2-benzyl-2,4a,5,6-tetrahydrobenzo[f][1,4]benzoxazin-3-one
CID 127044731
(2S,4aR)-2-benzyl-2,4a,5,6-tetrahydrobenzo[f][1,4]benzoxazin-3-one
CID 127044733
N-Benzhydrylidene-4-(trifluoromethyl)-L-phenylalanine tert-butyl ester
CID 10950488
Tert-butyl 2-(benzhydrylideneamino)-3-(4-fluorophenyl)propanoate
CID 72791760
Methyl 2-phenyl-2-[(phenylmethylene)amino]acetate
CID 3714052
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid ethyl ester
CID 11106816
Rac-methyl-n-(diphenylmethylene)phenylalaninate
CID 11142452
methyl N-benzhydrylidenephenylglycinate
CID 11151629
n-(Diphenylmethylene)-4-fluoro-dl-leucine, ethyl ester
CID 118703503

Frequently Asked Questions

What is the IUPAC name of (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one?
The IUPAC name of (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one (CID 102031964) is (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one.
What is the SMILES notation for (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one?
The canonical SMILES for (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one is COC[C@]1(C)OC(=O)C(Cc2ccccc2)N=C1c1ccccc1.
What is the InChIKey of (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one?
The InChIKey is DLDJCPCFFXOYDW-OZBJMMHXSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(14-23-2)18(16-11-7-4-8-12-16)21-17(19(22)24-20)13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3/t17?,20-/m0/s1.
What are the key properties of (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one?
(6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-benzyl-6-(methoxymethyl)-6-methyl-5-phenyl-3H-1,4-oxazin-2-one is sourced from PubChem (CID 102031964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).