[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

C22H24N4O4 — CID 112844802

IUPAC[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3cc(-c4ccncc4)on3)CC2)c1
InChIInChI=1S/C22H24N4O4/c1-28-18-3-4-20(29-2)17(13-18)15-25-9-11-26(12-10-25)22(27)19-14-21(30-24-19)16-5-7-23-8-6-16/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyCXGCEWPCDZMEGI-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.71
Rot. Bonds6

About [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (PubChem CID 112844802) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
PubChem CID112844802
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3cc(-c4ccncc4)on3)CC2)c1
InChIInChI=1S/C22H24N4O4/c1-28-18-3-4-20(29-2)17(13-18)15-25-9-11-26(12-10-25)22(27)19-14-21(30-24-19)16-5-7-23-8-6-16/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyCXGCEWPCDZMEGI-UHFFFAOYSA-N
XLogP2.71
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 17385208
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19323301
[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 49025532
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 17463626
pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072126
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylphenyl)methanone
CID 37280250
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 37280226
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 37278092
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (CID 112844802) is [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is COc1ccc(OC)c(CN2CCN(C(=O)c3cc(-c4ccncc4)on3)CC2)c1.
What is the InChIKey of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is CXGCEWPCDZMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-28-18-3-4-20(29-2)17(13-18)15-25-9-11-26(12-10-25)22(27)19-14-21(30-24-19)16-5-7-23-8-6-16/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 408.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 112844802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).