N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide

C25H27FN4O4 — CID 166166575

IUPACN-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1c(F)cc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC1CCC1
InChIInChI=1S/C25H27FN4O4/c1-15(31)28-24-20(26)12-16(13-22(24)33-17-4-2-5-17)18-6-3-7-19(25(18)32)21-14-23(29-34-21)30-10-8-27-9-11-30/h3,6-7,12-14,17,27,32H,2,4-5,8-11H2,1H3,(H,28,31)
InChIKeyRJXOFQKRIYQICE-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.15
Rot. Bonds6

About N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide

N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 166166575) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
PubChem CID166166575
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1c(F)cc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC1CCC1
InChIInChI=1S/C25H27FN4O4/c1-15(31)28-24-20(26)12-16(13-22(24)33-17-4-2-5-17)18-6-3-7-19(25(18)32)21-14-23(29-34-21)30-10-8-27-9-11-30/h3,6-7,12-14,17,27,32H,2,4-5,8-11H2,1H3,(H,28,31)
InChIKeyRJXOFQKRIYQICE-UHFFFAOYSA-N
XLogP4.15
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (CID 166166575) is N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is CC(=O)Nc1c(F)cc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC1CCC1.
What is the InChIKey of N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is RJXOFQKRIYQICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-15(31)28-24-20(26)12-16(13-22(24)33-17-4-2-5-17)18-6-3-7-19(25(18)32)21-14-23(29-34-21)30-10-8-27-9-11-30/h3,6-7,12-14,17,27,32H,2,4-5,8-11H2,1H3,(H,28,31).
What are the key properties of N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 466.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyloxy-6-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166166575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).