(2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine

C19H27NO — CID 11899512

IUPAC(2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine
SMILESCC1=C[C@@H](C)[C@H](CN2CCO[C@@H]2c2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H27NO/c1-14-11-15(2)18(16(3)12-14)13-20-9-10-21-19(20)17-7-5-4-6-8-17/h4-8,11,15-16,18-19H,9-10,12-13H2,1-3H3/t15-,16-,18+,19-/m1/s1
InChIKeyDXVJYGDLPSMKDE-ZAWLATJESA-N
MW285.43 g/mol
LogP4.26
Rot. Bonds3

About (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine

(2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine (PubChem CID 11899512) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine
PubChem CID11899512
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine
SMILESCC1=C[C@@H](C)[C@H](CN2CCO[C@@H]2c2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H27NO/c1-14-11-15(2)18(16(3)12-14)13-20-9-10-21-19(20)17-7-5-4-6-8-17/h4-8,11,15-16,18-19H,9-10,12-13H2,1-3H3/t15-,16-,18+,19-/m1/s1
InChIKeyDXVJYGDLPSMKDE-ZAWLATJESA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine with MolForge

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Launch Full Analysis

Related Compounds

3-(2-methylpropyl)-2-phenyl-1,3-oxazolidine
CID 14934066
3-butyl-2-phenyl-1,3-oxazolidine
CID 17386684
(2S)-3-(2-diphenylphosphorylethyl)-2-[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]-1,3-oxazolidine
CID 98340750
(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine
CID 7350920
trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 11891418
N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 7302881
(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
CID 11889232
2-methylpropyl-[[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 7380900
3-benzyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 132650753
[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134702161
(1R,5S,6R,7S)-4-oxo-3-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
CID 11899957
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine?
The IUPAC name of (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine (CID 11899512) is (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine?
The canonical SMILES for (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine is CC1=C[C@@H](C)[C@H](CN2CCO[C@@H]2c2ccccc2)[C@H](C)C1.
What is the InChIKey of (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine?
The InChIKey is DXVJYGDLPSMKDE-ZAWLATJESA-N. The full InChI is InChI=1S/C19H27NO/c1-14-11-15(2)18(16(3)12-14)13-20-9-10-21-19(20)17-7-5-4-6-8-17/h4-8,11,15-16,18-19H,9-10,12-13H2,1-3H3/t15-,16-,18+,19-/m1/s1.
What are the key properties of (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine?
(2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine has a molecular weight of 285.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-3-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]-1,3-oxazolidine is sourced from PubChem (CID 11899512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).