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

C18H16N2O — CID 10934710

IUPAC(2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
SMILESN#C[C@H](CC1=N[C@H](c2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C18H16N2O/c19-12-16(14-7-3-1-4-8-14)11-18-20-17(13-21-18)15-9-5-2-6-10-15/h1-10,16-17H,11,13H2/t16-,17-/m0/s1
InChIKeyWAVIFSQRIWIBSV-IRXDYDNUSA-N
MW276.34 g/mol
LogP3.85
Rot. Bonds4

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

(2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile (PubChem CID 10934710) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile.

Molecular Properties

Compound Name(2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
PubChem CID10934710
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
SMILESN#C[C@H](CC1=N[C@H](c2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C18H16N2O/c19-12-16(14-7-3-1-4-8-14)11-18-20-17(13-21-18)15-9-5-2-6-10-15/h1-10,16-17H,11,13H2/t16-,17-/m0/s1
InChIKeyWAVIFSQRIWIBSV-IRXDYDNUSA-N
XLogP3.85
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
CID 6396282
(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 127262963
N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline
CID 129266025
(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 11155717
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
CID 100993952
1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 160545550
(4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
CID 15896843
3-hydroxy-2-phenylpropanenitrile
CID 11008065
(4R)-4-(4-phenylmethoxyphenyl)-2-[[(4R)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 177495917
3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 58508366
4-phenyl-2-[1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)cyclohexyl]-4,5-dihydro-1,3-oxazole
CID 146158120

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile?
The IUPAC name of (2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile (CID 10934710) is (2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile.
What is the SMILES notation for (2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile?
The canonical SMILES for (2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile is N#C[C@H](CC1=N[C@H](c2ccccc2)CO1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile?
The InChIKey is WAVIFSQRIWIBSV-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H16N2O/c19-12-16(14-7-3-1-4-8-14)11-18-20-17(13-21-18)15-9-5-2-6-10-15/h1-10,16-17H,11,13H2/t16-,17-/m0/s1.
What are the key properties of (2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile?
(2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile has a molecular weight of 276.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile is sourced from PubChem (CID 10934710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).