[4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

C21H22FN3O4 — CID 24819481

IUPAC[4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)c(C)o2)c(F)c1
InChIInChI=1S/C21H22FN3O4/c1-14-18(23-20(29-14)16-6-5-15(27-2)12-17(16)22)13-24-7-9-25(10-8-24)21(26)19-4-3-11-28-19/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyPIVPRXDLMKXTGF-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.35
Rot. Bonds5

About [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 24819481) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID24819481
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name[4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)c(C)o2)c(F)c1
InChIInChI=1S/C21H22FN3O4/c1-14-18(23-20(29-14)16-6-5-15(27-2)12-17(16)22)13-24-7-9-25(10-8-24)21(26)19-4-3-11-28-19/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyPIVPRXDLMKXTGF-UHFFFAOYSA-N
XLogP3.35
TPSA71.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-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

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 24819481) is [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is COc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)c(C)o2)c(F)c1.
What is the InChIKey of [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PIVPRXDLMKXTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-14-18(23-20(29-14)16-6-5-15(27-2)12-17(16)22)13-24-7-9-25(10-8-24)21(26)19-4-3-11-28-19/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 399.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 24819481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).