N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide

C23H25FN4O3 — CID 166166496

IUPACN-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCCN1CCN(c2cc(-c3cccc(-c4ccc(NC(C)=O)c(F)c4)c3O)on2)CC1
InChIInChI=1S/C23H25FN4O3/c1-3-27-9-11-28(12-10-27)22-14-21(31-26-22)18-6-4-5-17(23(18)30)16-7-8-20(19(24)13-16)25-15(2)29/h4-8,13-14,30H,3,9-12H2,1-2H3,(H,25,29)
InChIKeyYZDNSVPYUUIBAL-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.95
Rot. Bonds5

About N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide

N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide (PubChem CID 166166496) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
PubChem CID166166496
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide
SMILESCCN1CCN(c2cc(-c3cccc(-c4ccc(NC(C)=O)c(F)c4)c3O)on2)CC1
InChIInChI=1S/C23H25FN4O3/c1-3-27-9-11-28(12-10-27)22-14-21(31-26-22)18-6-4-5-17(23(18)30)16-7-8-20(19(24)13-16)25-15(2)29/h4-8,13-14,30H,3,9-12H2,1-2H3,(H,25,29)
InChIKeyYZDNSVPYUUIBAL-UHFFFAOYSA-N
XLogP3.95
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]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-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide (CID 166166496) is N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide is CCN1CCN(c2cc(-c3cccc(-c4ccc(NC(C)=O)c(F)c4)c3O)on2)CC1.
What is the InChIKey of N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
The InChIKey is YZDNSVPYUUIBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-3-27-9-11-28(12-10-27)22-14-21(31-26-22)18-6-4-5-17(23(18)30)16-7-8-20(19(24)13-16)25-15(2)29/h4-8,13-14,30H,3,9-12H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide?
N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-(4-ethylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 166166496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).