5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole

C14H12N2O — CID 569092

IUPAC5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2CC(c3cccnc3)=NO2)cc1
InChIInChI=1S/C14H12N2O/c1-2-5-11(6-3-1)14-9-13(16-17-14)12-7-4-8-15-10-12/h1-8,10,14H,9H2
InChIKeySYCIBYJUPBHOCG-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.95
Rot. Bonds2

About 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole

5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole (PubChem CID 569092) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
PubChem CID569092
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2CC(c3cccnc3)=NO2)cc1
InChIInChI=1S/C14H12N2O/c1-2-5-11(6-3-1)14-9-13(16-17-14)12-7-4-8-15-10-12/h1-8,10,14H,9H2
InChIKeySYCIBYJUPBHOCG-UHFFFAOYSA-N
XLogP2.95
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dipyridin-3-yl-4,5-dihydro-1,2-oxazole;ethane
CID 90790732
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
(5S)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole;(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 162121836
(5R)-5-(4-phenylphenyl)-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 58126595
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)benzoic acid
CID 71415133
N-[(1S,2R)-2-(hydroxycarbamoyl)cyclopentyl]-4-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)benzamide
CID 87907234
N'-hydroxy-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboximidamide
CID 18510754
5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 91719391
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882
1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea
CID 1481517
(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 164886351

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole (CID 569092) is 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole is c1ccc(C2CC(c3cccnc3)=NO2)cc1.
What is the InChIKey of 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is SYCIBYJUPBHOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-5-11(6-3-1)14-9-13(16-17-14)12-7-4-8-15-10-12/h1-8,10,14H,9H2.
What are the key properties of 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole?
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 224.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 569092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).