4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile

C15H11N3O2 — CID 155810240

IUPAC4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile
SMILESN#Cc1ccc(O)c(C2=NCC(c3ccccn3)O2)c1
InChIInChI=1S/C15H11N3O2/c16-8-10-4-5-13(19)11(7-10)15-18-9-14(20-15)12-3-1-2-6-17-12/h1-7,14,19H,9H2
InChIKeyYTUWXYZFRZXHAS-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.18
Rot. Bonds2

About 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile

4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile (PubChem CID 155810240) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile
PubChem CID155810240
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile
SMILESN#Cc1ccc(O)c(C2=NCC(c3ccccn3)O2)c1
InChIInChI=1S/C15H11N3O2/c16-8-10-4-5-13(19)11(7-10)15-18-9-14(20-15)12-3-1-2-6-17-12/h1-7,14,19H,9H2
InChIKeyYTUWXYZFRZXHAS-UHFFFAOYSA-N
XLogP2.18
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 135616214
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alpha-(2-Methoxyphenyl)-2-pyridinemethanol
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2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol
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4-[4-(3-Hydroxypropoxy)-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
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2,6-Ditert-butyl-4-[cyclohexyloxy(pyridin-2-yl)methyl]phenol
CID 155520182
2-(Hydroxymethyl)-4-[1-hydroxy-2-[6-(6-pyridin-2-ylhexoxy)hexylamino]ethyl]phenol
CID 44209189
2-(4-((Pyridin-2-yl)methoxy)phenyl)acetonitrile
CID 24710496
2-(Hydroxypyridin-2-ylmethyl)phenol
CID 14937588
4-tert-Butyl-2-(hydroxy(2-pyridinyl)methyl)phenol
CID 385585
2-(Hydroxy(2-pyridinyl)methyl)-6-methylphenol
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CID 10775701

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile?
The IUPAC name of 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile (CID 155810240) is 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile.
What is the SMILES notation for 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile?
The canonical SMILES for 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile is N#Cc1ccc(O)c(C2=NCC(c3ccccn3)O2)c1.
What is the InChIKey of 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile?
The InChIKey is YTUWXYZFRZXHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-8-10-4-5-13(19)11(7-10)15-18-9-14(20-15)12-3-1-2-6-17-12/h1-7,14,19H,9H2.
What are the key properties of 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile?
4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile has a molecular weight of 265.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile is sourced from PubChem (CID 155810240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).