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

C14H12N2O — CID 13484536

IUPAC2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NCC(c3ccccn3)O2)cc1
InChIInChI=1S/C14H12N2O/c1-2-6-11(7-3-1)14-16-10-13(17-14)12-8-4-5-9-15-12/h1-9,13H,10H2
InChIKeyAGZKAUDUYQVLPC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.60
Rot. Bonds2

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

2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 13484536) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID13484536
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NCC(c3ccccn3)O2)cc1
InChIInChI=1S/C14H12N2O/c1-2-6-11(7-3-1)14-16-10-13(17-14)12-8-4-5-9-15-12/h1-9,13H,10H2
InChIKeyAGZKAUDUYQVLPC-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
4-hydroxy-3-(5-pyridin-2-yl-4,5-dihydro-1,3-oxazol-2-yl)benzonitrile
CID 155810240
2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
CID 135011554
2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132523730
(5R,6S)-2,5,6-triphenyl-5,6-dihydro-4H-1,3-oxazine
CID 122224215
2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-ol
CID 14650602
2-[(2S)-3-phenyl-2H-azirin-2-yl]pyridine
CID 164668686
2-fluoro-5-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenol
CID 173312747
5-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 132530511
2-(3,6-dihydro-2H-pyran-2-yl)pyridine
CID 122392146
(2R)-2-pyridin-2-yl-3,4-dihydro-2H-chromen-5-ol
CID 129364109
(3R,5S)-2-methyl-3-[(3S,5S)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 6541701

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole (CID 13484536) is 2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole is c1ccc(C2=NCC(c3ccccn3)O2)cc1.
What is the InChIKey of 2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is AGZKAUDUYQVLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-6-11(7-3-1)14-16-10-13(17-14)12-8-4-5-9-15-12/h1-9,13H,10H2.
What are the key properties of 2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 224.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyridin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 13484536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).