[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone

C22H18N6O2 — CID 171145045

IUPAC[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CC(c2cccnc2)C(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C22H18N6O2/c29-22(17-10-24-14-25-11-17)28-12-18(16-7-4-8-23-9-16)19(13-28)21-26-20(27-30-21)15-5-2-1-3-6-15/h1-11,14,18-19H,12-13H2
InChIKeyOVFFGGLZGARDMD-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.94
Rot. Bonds4

About [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone

[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 171145045) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID171145045
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CC(c2cccnc2)C(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C22H18N6O2/c29-22(17-10-24-14-25-11-17)28-12-18(16-7-4-8-23-9-16)19(13-28)21-26-20(27-30-21)15-5-2-1-3-6-15/h1-11,14,18-19H,12-13H2
InChIKeyOVFFGGLZGARDMD-UHFFFAOYSA-N
XLogP2.94
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 171144465
[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone
CID 156611490
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
CID 171145046
phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46846380
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129416756
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390
3-phenyl-5-[(3S,4R)-1-(1-propylpiperidin-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 146065021
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 156601911
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide
CID 146069733
(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281242

Frequently Asked Questions

What is the IUPAC name of [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone (CID 171145045) is [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone is O=C(c1cncnc1)N1CC(c2cccnc2)C(c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is OVFFGGLZGARDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-22(17-10-24-14-25-11-17)28-12-18(16-7-4-8-23-9-16)19(13-28)21-26-20(27-30-21)15-5-2-1-3-6-15/h1-11,14,18-19H,12-13H2.
What are the key properties of [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone?
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 398.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 171145045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).