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

C21H19F3N4O3 — CID 166165917

IUPAC2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESO=C(Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1)C(F)(F)F
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)20(30)26-14-6-4-13(5-7-14)15-2-1-3-16(19(15)29)17-12-18(27-31-17)28-10-8-25-9-11-28/h1-7,12,25,29H,8-11H2,(H,26,30)
InChIKeySAEOTTZOCMSPOK-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.62
Rot. Bonds4

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

2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 166165917) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
PubChem CID166165917
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESO=C(Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1)C(F)(F)F
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)20(30)26-14-6-4-13(5-7-14)15-2-1-3-16(19(15)29)17-12-18(27-31-17)28-10-8-25-9-11-28/h1-7,12,25,29H,8-11H2,(H,26,30)
InChIKeySAEOTTZOCMSPOK-UHFFFAOYSA-N
XLogP3.62
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (CID 166165917) is 2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is O=C(Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is SAEOTTZOCMSPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c22-21(23,24)20(30)26-14-6-4-13(5-7-14)15-2-1-3-16(19(15)29)17-12-18(27-31-17)28-10-8-25-9-11-28/h1-7,12,25,29H,8-11H2,(H,26,30).
What are the key properties of 2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 432.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166165917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).