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

C21H21FN4O3 — CID 166166626

IUPACN-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)c(F)c1
InChIInChI=1S/C21H21FN4O3/c1-13(27)24-14-5-6-15(18(22)11-14)16-3-2-4-17(21(16)28)19-12-20(25-29-19)26-9-7-23-8-10-26/h2-6,11-12,23,28H,7-10H2,1H3,(H,24,27)
InChIKeyXBPXNDUUDITWPP-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.22
Rot. Bonds4

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

N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 166166626) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
PubChem CID166166626
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)c(F)c1
InChIInChI=1S/C21H21FN4O3/c1-13(27)24-14-5-6-15(18(22)11-14)16-3-2-4-17(21(16)28)19-12-20(25-29-19)26-9-7-23-8-10-26/h2-6,11-12,23,28H,7-10H2,1H3,(H,24,27)
InChIKeyXBPXNDUUDITWPP-UHFFFAOYSA-N
XLogP3.22
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide (CID 166166626) is N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is XBPXNDUUDITWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-13(27)24-14-5-6-15(18(22)11-14)16-3-2-4-17(21(16)28)19-12-20(25-29-19)26-9-7-23-8-10-26/h2-6,11-12,23,28H,7-10H2,1H3,(H,24,27).
What are the key properties of N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide?
N-[3-fluoro-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 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166166626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).