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

C23H24N4O4 — CID 166166503

IUPACN-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(C(C)=O)CC4)no3)c2O)cc1
InChIInChI=1S/C23H24N4O4/c1-15(28)24-18-8-6-17(7-9-18)19-4-3-5-20(23(19)30)21-14-22(25-31-21)27-12-10-26(11-13-27)16(2)29/h3-9,14,30H,10-13H2,1-2H3,(H,24,28)
InChIKeyURKYVVYMMZWPQI-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.34
Rot. Bonds4

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

N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide (PubChem CID 166166503) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide
PubChem CID166166503
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(C(C)=O)CC4)no3)c2O)cc1
InChIInChI=1S/C23H24N4O4/c1-15(28)24-18-8-6-17(7-9-18)19-4-3-5-20(23(19)30)21-14-22(25-31-21)27-12-10-26(11-13-27)16(2)29/h3-9,14,30H,10-13H2,1-2H3,(H,24,28)
InChIKeyURKYVVYMMZWPQI-UHFFFAOYSA-N
XLogP3.34
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide (CID 166166503) is N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCN(C(C)=O)CC4)no3)c2O)cc1.
What is the InChIKey of N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide?
The InChIKey is URKYVVYMMZWPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15(28)24-18-8-6-17(7-9-18)19-4-3-5-20(23(19)30)21-14-22(25-31-21)27-12-10-26(11-13-27)16(2)29/h3-9,14,30H,10-13H2,1-2H3,(H,24,28).
What are the key properties of N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide?
N-[4-[3-[3-(4-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.34, 4 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-acetylpiperazin-1-yl)-1,2-oxazol-5-yl]-2-hydroxyphenyl]phenyl]acetamide is sourced from PubChem (CID 166166503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).