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

C25H28N4O2 — CID 171144465

IUPAC(1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCC1(C(=O)N2CC(c3cccnc3)C(c3nc(-c4ccccc4)no3)C2)CCCCC1
InChIInChI=1S/C25H28N4O2/c1-25(12-6-3-7-13-25)24(30)29-16-20(19-11-8-14-26-15-19)21(17-29)23-27-22(28-31-23)18-9-4-2-5-10-18/h2,4-5,8-11,14-15,20-21H,3,6-7,12-13,16-17H2,1H3
InChIKeyJVPFHZQNEWBGBM-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.81
Rot. Bonds4

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

(1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 171144465) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID171144465
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCC1(C(=O)N2CC(c3cccnc3)C(c3nc(-c4ccccc4)no3)C2)CCCCC1
InChIInChI=1S/C25H28N4O2/c1-25(12-6-3-7-13-25)24(30)29-16-20(19-11-8-14-26-15-19)21(17-29)23-27-22(28-31-23)18-9-4-2-5-10-18/h2,4-5,8-11,14-15,20-21H,3,6-7,12-13,16-17H2,1H3
InChIKeyJVPFHZQNEWBGBM-UHFFFAOYSA-N
XLogP4.81
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 171145045
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
3-phenyl-5-[(3S,4R)-1-(1-propylpiperidin-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 146065021
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone
CID 156611490
(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281242
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129416756
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 87053040
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 171141503
N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]-2-pyridin-3-ylacetamide
CID 146069733

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 171144465) is (1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone is CC1(C(=O)N2CC(c3cccnc3)C(c3nc(-c4ccccc4)no3)C2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is JVPFHZQNEWBGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-25(12-6-3-7-13-25)24(30)29-16-20(19-11-8-14-26-15-19)21(17-29)23-27-22(28-31-23)18-9-4-2-5-10-18/h2,4-5,8-11,14-15,20-21H,3,6-7,12-13,16-17H2,1H3.
What are the key properties of (1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone?
(1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 171144465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).