2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane

C16H23NO3 — CID 135011248

IUPAC2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane
SMILESCC1(C)OCC(C2CCCON2Cc2ccccc2)O1
InChIInChI=1S/C16H23NO3/c1-16(2)18-12-15(20-16)14-9-6-10-19-17(14)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKeyGRZTVKSYHFCHHO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.73
Rot. Bonds3

About 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane

2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane (PubChem CID 135011248) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane.

Molecular Properties

Compound Name2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane
PubChem CID135011248
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane
SMILESCC1(C)OCC(C2CCCON2Cc2ccccc2)O1
InChIInChI=1S/C16H23NO3/c1-16(2)18-12-15(20-16)14-9-6-10-19-17(14)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
InChIKeyGRZTVKSYHFCHHO-UHFFFAOYSA-N
XLogP2.73
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperazine
CID 127026552
1-Benzyl-1-{[2-(2,4,4-trimethylpentyl)-1,3-dioxolan-4-yl]methyl}piperidinium
CID 5101318
(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156017
(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156319
N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]hydroxylamine
CID 10516661
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3,6-dihydrooxazine
CID 10859717
(3S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3,6-dihydrooxazine
CID 11012190
(3S,4R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxyoxazinan-5-ol
CID 11221002
(3R,5R)-2-benzyl-5-bromo-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxazinan-4-one
CID 11406044
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-ethenyl-4,4-dimethoxy-3,7-dihydrooxazepine
CID 12166714
(4aS,6S,7R,7aS)-1-benzyl-6-(hydroxymethyl)-4a-methoxy-4,6,7,7a-tetrahydro-3H-furo[3,2-c]oxazin-7-ol
CID 60145834
(3R)-2-benzyl-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3,6-dihydrooxazine
CID 100980610

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane?
The IUPAC name of 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane (CID 135011248) is 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane.
What is the SMILES notation for 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane?
The canonical SMILES for 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane is CC1(C)OCC(C2CCCON2Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane?
The InChIKey is GRZTVKSYHFCHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2)18-12-15(20-16)14-9-6-10-19-17(14)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3.
What are the key properties of 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane?
2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane has a molecular weight of 277.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)oxazinane is sourced from PubChem (CID 135011248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).