2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone

C21H28FN3O3 — CID 110354437

IUPAC2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
SMILESCOCCN1C(C)CN(C(=O)Cc2nc(-c3ccccc3F)oc2C)CC1C
InChIInChI=1S/C21H28FN3O3/c1-14-12-24(13-15(2)25(14)9-10-27-4)20(26)11-19-16(3)28-21(23-19)17-7-5-6-8-18(17)22/h5-8,14-15H,9-13H2,1-4H3
InChIKeyPOWKPGNOVDZBGN-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.90
Rot. Bonds6

About 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone

2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone (PubChem CID 110354437) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
PubChem CID110354437
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
SMILESCOCCN1C(C)CN(C(=O)Cc2nc(-c3ccccc3F)oc2C)CC1C
InChIInChI=1S/C21H28FN3O3/c1-14-12-24(13-15(2)25(14)9-10-27-4)20(26)11-19-16(3)28-21(23-19)17-7-5-6-8-18(17)22/h5-8,14-15H,9-13H2,1-4H3
InChIKeyPOWKPGNOVDZBGN-UHFFFAOYSA-N
XLogP2.90
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone 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

2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110355851
2-(3-fluorophenyl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662498
1-(3,5-dimethylmorpholin-4-yl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110631177
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110629122
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
CID 110354976
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356056
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-diphenylpropan-1-one
CID 110290192
4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155911936
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
N-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356063
N-cyclopentyl-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 20860266

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone (CID 110354437) is 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone is COCCN1C(C)CN(C(=O)Cc2nc(-c3ccccc3F)oc2C)CC1C.
What is the InChIKey of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone?
The InChIKey is POWKPGNOVDZBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-14-12-24(13-15(2)25(14)9-10-27-4)20(26)11-19-16(3)28-21(23-19)17-7-5-6-8-18(17)22/h5-8,14-15H,9-13H2,1-4H3.
What are the key properties of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone?
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone has a molecular weight of 389.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 110354437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).