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

C21H21FN4O3 — CID 166167020

IUPAC2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESO=C(CF)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1
InChIInChI=1S/C21H21FN4O3/c22-13-20(27)24-15-6-4-14(5-7-15)16-2-1-3-17(21(16)28)18-12-19(25-29-18)26-10-8-23-9-11-26/h1-7,12,23,28H,8-11,13H2,(H,24,27)
InChIKeyAFDKZWKJRTWVON-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.03
Rot. Bonds5

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

2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 166167020) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
PubChem CID166167020
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESO=C(CF)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1
InChIInChI=1S/C21H21FN4O3/c22-13-20(27)24-15-6-4-14(5-7-15)16-2-1-3-17(21(16)28)18-12-19(25-29-18)26-10-8-23-9-11-26/h1-7,12,23,28H,8-11,13H2,(H,24,27)
InChIKeyAFDKZWKJRTWVON-UHFFFAOYSA-N
XLogP3.03
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of 2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (CID 166167020) is 2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is O=C(CF)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1.
What is the InChIKey of 2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is AFDKZWKJRTWVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c22-13-20(27)24-15-6-4-14(5-7-15)16-2-1-3-17(21(16)28)18-12-19(25-29-18)26-10-8-23-9-11-26/h1-7,12,23,28H,8-11,13H2,(H,24,27).
What are the key properties of 2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 396.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166167020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).