N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide

C24H25FN4O4 — CID 166166049

IUPACN-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(C5COC5)CC4)no3)c2O)cc1F
InChIInChI=1S/C24H25FN4O4/c1-15(30)26-21-6-5-16(11-20(21)25)18-3-2-4-19(24(18)31)22-12-23(27-33-22)29-9-7-28(8-10-29)17-13-32-14-17/h2-6,11-12,17,31H,7-10,13-14H2,1H3,(H,26,30)
InChIKeyOUSQPHXWPNYCEW-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.33
Rot. Bonds5

About N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide

N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide (PubChem CID 166166049) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide
PubChem CID166166049
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(C5COC5)CC4)no3)c2O)cc1F
InChIInChI=1S/C24H25FN4O4/c1-15(30)26-21-6-5-16(11-20(21)25)18-3-2-4-19(24(18)31)22-12-23(27-33-22)29-9-7-28(8-10-29)17-13-32-14-17/h2-6,11-12,17,31H,7-10,13-14H2,1H3,(H,26,30)
InChIKeyOUSQPHXWPNYCEW-UHFFFAOYSA-N
XLogP3.33
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide 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 N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide (CID 166166049) is N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(C5COC5)CC4)no3)c2O)cc1F.
What is the InChIKey of N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide?
The InChIKey is OUSQPHXWPNYCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-15(30)26-21-6-5-16(11-20(21)25)18-3-2-4-19(24(18)31)22-12-23(27-33-22)29-9-7-28(8-10-29)17-13-32-14-17/h2-6,11-12,17,31H,7-10,13-14H2,1H3,(H,26,30).
What are the key properties of N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide?
N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide has a molecular weight of 452.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-hydroxy-3-[3-[4-(oxetan-3-yl)piperazin-1-yl]-1,2-oxazol-5-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 166166049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).