1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone

C14H17NO3 — CID 130287272

IUPAC1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone
SMILESCC(=O)C1=NOC(COCc2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-11(16)14-8-7-13(18-15-14)10-17-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyPTLVSUGSYLEGOW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.33
Rot. Bonds5

About 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone

1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone (PubChem CID 130287272) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone
PubChem CID130287272
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone
SMILESCC(=O)C1=NOC(COCc2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-11(16)14-8-7-13(18-15-14)10-17-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyPTLVSUGSYLEGOW-UHFFFAOYSA-N
XLogP2.33
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid
CID 129201849
ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate
CID 129201855
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
CID 93493280
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
acetic acid;phenylmethoxymethylbenzene
CID 175214238
1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 130287442
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
2-bromo-1-[5-(phenylmethoxymethyl)oxolan-2-yl]ethanone
CID 155043251
1-[(1S,3R,4S,5R,6S,7S)-4,5-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptan-7-yl]ethanone
CID 51350318

Frequently Asked Questions

What is the IUPAC name of 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone?
The IUPAC name of 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone (CID 130287272) is 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone.
What is the SMILES notation for 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone?
The canonical SMILES for 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone is CC(=O)C1=NOC(COCc2ccccc2)CC1.
What is the InChIKey of 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone?
The InChIKey is PTLVSUGSYLEGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11(16)14-8-7-13(18-15-14)10-17-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3.
What are the key properties of 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone?
1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone has a molecular weight of 247.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazin-3-yl]ethanone is sourced from PubChem (CID 130287272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).