(3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile

C18H18N2O — CID 11065779

IUPAC(3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile
SMILESC[C@]1(C#N)C[C@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C18H18N2O/c1-18(14-19)12-17(16-10-6-3-7-11-16)20(21-18)13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyRGMFIIMNMBGIJF-QZTJIDSGSA-N
MW278.36 g/mol
LogP3.85
Rot. Bonds3

About (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile

(3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile (PubChem CID 11065779) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile.

Molecular Properties

Compound Name(3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile
PubChem CID11065779
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile
SMILESC[C@]1(C#N)C[C@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C18H18N2O/c1-18(14-19)12-17(16-10-6-3-7-11-16)20(21-18)13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyRGMFIIMNMBGIJF-QZTJIDSGSA-N
XLogP3.85
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 704394
2,6-Diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 2729795
4-[(3-Benzyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]benzonitrile
CID 134792915
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
5-Methyl-6-phenyl-4-oxa-5-azaspiro[2.4]heptane
CID 13585889
(3S,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
3-(((2-Cyanopropan-2-yl)oxy)(cyclohexyl)amino)-2,2-dimethyl-3-phenylpropanenitrile
CID 132837275
2-Methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile
CID 336283
5-Methyl-6,6-diphenyl-4-oxa-5-azaspiro[2.4]heptane
CID 10084223

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile?
The IUPAC name of (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile (CID 11065779) is (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile.
What is the SMILES notation for (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile?
The canonical SMILES for (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile is C[C@]1(C#N)C[C@H](c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile?
The InChIKey is RGMFIIMNMBGIJF-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(14-19)12-17(16-10-6-3-7-11-16)20(21-18)13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile?
(3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-5-carbonitrile is sourced from PubChem (CID 11065779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).