2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile

C12H14N2O — CID 14935545

IUPAC2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
SMILESC[C@H]1OC[C@@H](c2ccccc2)N1CC#N
InChIInChI=1S/C12H14N2O/c1-10-14(8-7-13)12(9-15-10)11-5-3-2-4-6-11/h2-6,10,12H,8-9H2,1H3/t10-,12+/m1/s1
InChIKeyMZUDYVVJYQAUEO-PWSUYJOCSA-N
MW202.26 g/mol
LogP1.93
Rot. Bonds2

About 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile

2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile (PubChem CID 14935545) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
PubChem CID14935545
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile
SMILESC[C@H]1OC[C@@H](c2ccccc2)N1CC#N
InChIInChI=1S/C12H14N2O/c1-10-14(8-7-13)12(9-15-10)11-5-3-2-4-6-11/h2-6,10,12H,8-9H2,1H3/t10-,12+/m1/s1
InChIKeyMZUDYVVJYQAUEO-PWSUYJOCSA-N
XLogP1.93
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine
CID 102061324
(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine
CID 140974143
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437
(3S,7S,7aR)-7-methyl-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 10443341
(2R,4R)-3-benzyl-4-phenyl-2-(2-phenylethyl)-1,3-oxazolidine
CID 11067883
5-[2-(1,3-dioxolan-2-yl)ethyl]-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole-5-carbonitrile
CID 85358055
(3R,7aS)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
CID 25229090
(3R,5R,8aS)-3,5-diphenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 100924252
(2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile
CID 11780247
(4R,5R)-2,3-dimethyl-4-phenyl-1,3-oxazinan-5-ol
CID 11241219
(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
CID 11782223
(3R,6R,8aS)-6-benzyl-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102383128

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile?
The IUPAC name of 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile (CID 14935545) is 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile?
The canonical SMILES for 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile is C[C@H]1OC[C@@H](c2ccccc2)N1CC#N.
What is the InChIKey of 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile?
The InChIKey is MZUDYVVJYQAUEO-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-14(8-7-13)12(9-15-10)11-5-3-2-4-6-11/h2-6,10,12H,8-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile?
2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-methyl-4-phenyl-1,3-oxazolidin-3-yl]acetonitrile is sourced from PubChem (CID 14935545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).