4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole

C25H19N3O — CID 154729890

IUPAC4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2N=C(c3cccc(-c4ccccn4)n3)OC2c2ccccc2)cc1
InChIInChI=1S/C25H19N3O/c1-3-10-18(11-4-1)23-24(19-12-5-2-6-13-19)29-25(28-23)22-16-9-15-21(27-22)20-14-7-8-17-26-20/h1-17,23-24H
InChIKeyBHDHXAKJQALBJP-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.40
Rot. Bonds4

About 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole

4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole (PubChem CID 154729890) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
PubChem CID154729890
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2N=C(c3cccc(-c4ccccn4)n3)OC2c2ccccc2)cc1
InChIInChI=1S/C25H19N3O/c1-3-10-18(11-4-1)23-24(19-12-5-2-6-13-19)29-25(28-23)22-16-9-15-21(27-22)20-14-7-8-17-26-20/h1-17,23-24H
InChIKeyBHDHXAKJQALBJP-UHFFFAOYSA-N
XLogP5.40
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 154729199
[(4S,5R)-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 6937667
(4R,5R)-4,5-diphenyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 102576068
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2-(8-bromoimidazo[1,2-a]pyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 175539672
(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 154729949
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole (CID 154729890) is 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole is c1ccc(C2N=C(c3cccc(-c4ccccn4)n3)OC2c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BHDHXAKJQALBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-3-10-18(11-4-1)23-24(19-12-5-2-6-13-19)29-25(28-23)22-16-9-15-21(27-22)20-14-7-8-17-26-20/h1-17,23-24H.
What are the key properties of 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole?
4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 377.45 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154729890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).