6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile

C15H11N3O — CID 100993952

IUPAC6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(C2=N[C@H](c3ccccc3)CO2)n1
InChIInChI=1S/C15H11N3O/c16-9-12-7-4-8-13(17-12)15-18-14(10-19-15)11-5-2-1-3-6-11/h1-8,14H,10H2/t14-/m0/s1
InChIKeyJLVKGNLFZNOOOV-AWEZNQCLSA-N
MW249.27 g/mol
LogP2.47
Rot. Bonds2

About 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile

6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile (PubChem CID 100993952) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
PubChem CID100993952
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(C2=N[C@H](c3ccccc3)CO2)n1
InChIInChI=1S/C15H11N3O/c16-9-12-7-4-8-13(17-12)15-18-14(10-19-15)11-5-2-1-3-6-11/h1-8,14H,10H2/t14-/m0/s1
InChIKeyJLVKGNLFZNOOOV-AWEZNQCLSA-N
XLogP2.47
TPSA58.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile (CID 100993952) is 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile is N#Cc1cccc(C2=N[C@H](c3ccccc3)CO2)n1.
What is the InChIKey of 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile?
The InChIKey is JLVKGNLFZNOOOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11N3O/c16-9-12-7-4-8-13(17-12)15-18-14(10-19-15)11-5-2-1-3-6-11/h1-8,14H,10H2/t14-/m0/s1.
What are the key properties of 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile?
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 100993952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).