(2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile

C13H14N2O — CID 10965880

IUPAC(2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
SMILESC[C@H](C#N)CC1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C13H14N2O/c1-10(8-14)7-13-15-12(9-16-13)11-5-3-2-4-6-11/h2-6,10,12H,7,9H2,1H3/t10-,12-/m0/s1
InChIKeyWEOYDTILLGNFRG-JQWIXIFHSA-N
MW214.27 g/mol
LogP2.71
Rot. Bonds3

About (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile

(2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile (PubChem CID 10965880) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile.

Molecular Properties

Compound Name(2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
PubChem CID10965880
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
SMILESC[C@H](C#N)CC1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C13H14N2O/c1-10(8-14)7-13-15-12(9-16-13)11-5-3-2-4-6-11/h2-6,10,12H,7,9H2,1H3/t10-,12-/m0/s1
InChIKeyWEOYDTILLGNFRG-JQWIXIFHSA-N
XLogP2.71
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 676388
CID 676388
CID 676390
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CID 736684
CID 736684
CID 5325154
CID 5325154
CID 3957686
CID 3957686
CID 4692621
CID 4692621
CID 10931742
CID 10931742
CID 134858563
CID 134858563
CID 154720158
CID 154720158
CID 605013
CID 605013
CID 134839866
CID 134839866
CID 134839892
CID 134839892

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile?
The IUPAC name of (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile (CID 10965880) is (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile.
What is the SMILES notation for (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile?
The canonical SMILES for (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile is C[C@H](C#N)CC1=N[C@H](c2ccccc2)CO1.
What is the InChIKey of (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile?
The InChIKey is WEOYDTILLGNFRG-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(8-14)7-13-15-12(9-16-13)11-5-3-2-4-6-11/h2-6,10,12H,7,9H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile?
(2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile has a molecular weight of 214.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile is sourced from PubChem (CID 10965880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).