(2S)-2-benzyl-3-methyl-1,3-oxazinane

C12H17NO — CID 89089139

IUPAC(2S)-2-benzyl-3-methyl-1,3-oxazinane
SMILESCN1CCCO[C@H]1Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-13-8-5-9-14-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyDHRDROGBZHZDQM-LBPRGKRZSA-N
MW191.27 g/mol
LogP1.91
Rot. Bonds2

About (2S)-2-benzyl-3-methyl-1,3-oxazinane

(2S)-2-benzyl-3-methyl-1,3-oxazinane (PubChem CID 89089139) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-2-benzyl-3-methyl-1,3-oxazinane.

Molecular Properties

Compound Name(2S)-2-benzyl-3-methyl-1,3-oxazinane
PubChem CID89089139
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-2-benzyl-3-methyl-1,3-oxazinane
SMILESCN1CCCO[C@H]1Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-13-8-5-9-14-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyDHRDROGBZHZDQM-LBPRGKRZSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-3-methyl-1,3-oxazinane?
The IUPAC name of (2S)-2-benzyl-3-methyl-1,3-oxazinane (CID 89089139) is (2S)-2-benzyl-3-methyl-1,3-oxazinane.
What is the SMILES notation for (2S)-2-benzyl-3-methyl-1,3-oxazinane?
The canonical SMILES for (2S)-2-benzyl-3-methyl-1,3-oxazinane is CN1CCCO[C@H]1Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyl-3-methyl-1,3-oxazinane?
The InChIKey is DHRDROGBZHZDQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-8-5-9-14-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-benzyl-3-methyl-1,3-oxazinane?
(2S)-2-benzyl-3-methyl-1,3-oxazinane has a molecular weight of 191.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-3-methyl-1,3-oxazinane is sourced from PubChem (CID 89089139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).