[5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C25H25N5O3 — CID 91915246

IUPAC[5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(c4noc(-c5cccnc5)n4)C3)c(C)n2C)cc1
InChIInChI=1S/C25H25N5O3/c1-16-21(13-22(29(16)2)17-6-8-20(32-3)9-7-17)25(31)30-12-10-19(15-30)23-27-24(33-28-23)18-5-4-11-26-14-18/h4-9,11,13-14,19H,10,12,15H2,1-3H3
InChIKeyFCQXXMXXBHZNHY-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.08
Rot. Bonds5

About [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

[5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 91915246) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID91915246
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name[5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(c4noc(-c5cccnc5)n4)C3)c(C)n2C)cc1
InChIInChI=1S/C25H25N5O3/c1-16-21(13-22(29(16)2)17-6-8-20(32-3)9-7-17)25(31)30-12-10-19(15-30)23-27-24(33-28-23)18-5-4-11-26-14-18/h4-9,11,13-14,19H,10,12,15H2,1-3H3
InChIKeyFCQXXMXXBHZNHY-UHFFFAOYSA-N
XLogP4.08
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(2,4-dimethylphenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121824
(2,5-difluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121835
1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 53121854
3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one
CID 119102474
(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
2-(3-methoxyphenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121815
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417268
[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129416738
(3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
CID 87052290
1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 46389291
(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92896437
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 91915246) is [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCC(c4noc(-c5cccnc5)n4)C3)c(C)n2C)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FCQXXMXXBHZNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-21(13-22(29(16)2)17-6-8-20(32-3)9-7-17)25(31)30-12-10-19(15-30)23-27-24(33-28-23)18-5-4-11-26-14-18/h4-9,11,13-14,19H,10,12,15H2,1-3H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
[5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 443.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91915246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).