1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one

C22H25N3O4 — CID 126816130

IUPAC1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(C2(c3noc(Cn4ccc(C)cc4=O)n3)CCCC2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-15-8-11-25(20(26)12-15)14-19-23-21(24-29-19)22(9-4-5-10-22)16-6-7-17(27-2)18(13-16)28-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3
InChIKeyDREHABDDCQWIKI-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.47
Rot. Bonds6

About 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one

1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one (PubChem CID 126816130) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one
PubChem CID126816130
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one
SMILESCOc1ccc(C2(c3noc(Cn4ccc(C)cc4=O)n3)CCCC2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-15-8-11-25(20(26)12-15)14-19-23-21(24-29-19)22(9-4-5-10-22)16-6-7-17(27-2)18(13-16)28-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3
InChIKeyDREHABDDCQWIKI-UHFFFAOYSA-N
XLogP3.47
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one (CID 126816130) is 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one is COc1ccc(C2(c3noc(Cn4ccc(C)cc4=O)n3)CCCC2)cc1OC.
What is the InChIKey of 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one?
The InChIKey is DREHABDDCQWIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-8-11-25(20(26)12-15)14-19-23-21(24-29-19)22(9-4-5-10-22)16-6-7-17(27-2)18(13-16)28-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3.
What are the key properties of 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one?
1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one has a molecular weight of 395.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[1-(3,4-dimethoxyphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 126816130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).