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

C22H21F3N4O4 — CID 166166364

IUPACN-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC(F)(F)F
InChIInChI=1S/C22H21F3N4O4/c1-13(30)27-17-6-5-14(11-19(17)32-22(23,24)25)15-3-2-4-16(21(15)31)18-12-20(28-33-18)29-9-7-26-8-10-29/h2-6,11-12,26,31H,7-10H2,1H3,(H,27,30)
InChIKeyNQTWRFUXTHXDKD-UHFFFAOYSA-N
MW462.43 g/mol
LogP3.98
Rot. Bonds5

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

N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 166166364) has the molecular formula C22H21F3N4O4 and a molecular weight of 462.43 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide
PubChem CID166166364
Molecular FormulaC22H21F3N4O4
Molecular Weight462.43 g/mol
Exact Mass462.15
IUPAC NameN-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC(F)(F)F
InChIInChI=1S/C22H21F3N4O4/c1-13(30)27-17-6-5-14(11-19(17)32-22(23,24)25)15-3-2-4-16(21(15)31)18-12-20(28-33-18)29-9-7-26-8-10-29/h2-6,11-12,26,31H,7-10H2,1H3,(H,27,30)
InChIKeyNQTWRFUXTHXDKD-UHFFFAOYSA-N
XLogP3.98
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide (CID 166166364) is N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1OC(F)(F)F.
What is the InChIKey of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NQTWRFUXTHXDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4/c1-13(30)27-17-6-5-14(11-19(17)32-22(23,24)25)15-3-2-4-16(21(15)31)18-12-20(28-33-18)29-9-7-26-8-10-29/h2-6,11-12,26,31H,7-10H2,1H3,(H,27,30).
What are the key properties of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide?
N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 462.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 166166364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).