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

C14H17NO3 — CID 25177954

IUPAC(6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one
SMILESCOC[C@]1(C)OC(=O)C(C)N=C1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10-13(16)18-14(2,9-17-3)12(15-10)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10?,14-/m0/s1
InChIKeyGRQQOXKDENDCAY-SBNLOKMTSA-N
MW247.29 g/mol
LogP1.83
Rot. Bonds3

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

(6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one (PubChem CID 25177954) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one.

Molecular Properties

Compound Name(6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one
PubChem CID25177954
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one
SMILESCOC[C@]1(C)OC(=O)C(C)N=C1c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10-13(16)18-14(2,9-17-3)12(15-10)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10?,14-/m0/s1
InChIKeyGRQQOXKDENDCAY-SBNLOKMTSA-N
XLogP1.83
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl Nalpha diphenylmethylene-L-alaninate
CID 10085120
Ethyl 2-[(diphenylmethylene)amino]-4-pentenoate
CID 10470478
(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
CID 11042179
5(4H)-Oxazolone, 4-methyl-2-(phenylmethyl)-
CID 12246765
tert-butyl (2S)-4-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,3-oxazole-2-carboxylate
CID 138977569
(3R,6R)-3-benzyl-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-1,4-oxazin-2-one
CID 25178795
Tert-butyl 2-(benzhydrylideneamino)pent-4-enoate
CID 10382321
tert-butyl (2R)-2-(benzhydrylideneamino)pent-4-enoate
CID 10969722
t-Butyl (s)-2-((diphenylmethylene)amino)pent-4-enoate
CID 11045937
N-(Diphenylmethylene)alanine ethyl ester
CID 11065877
Tert-butyl 2-(benzhydrylideneamino)propanoate
CID 11220587
(S)-2-(benzhydrylidene-amino)-propionic acid tert-butyl ester
CID 11324327

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one?
The IUPAC name of (6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one (CID 25177954) is (6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one.
What is the SMILES notation for (6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one?
The canonical SMILES for (6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one is COC[C@]1(C)OC(=O)C(C)N=C1c1ccccc1.
What is the InChIKey of (6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one?
The InChIKey is GRQQOXKDENDCAY-SBNLOKMTSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-13(16)18-14(2,9-17-3)12(15-10)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t10?,14-/m0/s1.
What are the key properties of (6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one?
(6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(methoxymethyl)-3,6-dimethyl-5-phenyl-3H-1,4-oxazin-2-one is sourced from PubChem (CID 25177954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).