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

C22H23FN4O2 — CID 68988911

IUPACN-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(F)c1
InChIInChI=1S/C22H23FN4O2/c1-16(28)25-18-7-8-20(19(23)15-18)26-10-12-27(13-11-26)21(22-24-9-14-29-22)17-5-3-2-4-6-17/h2-9,14-15,21H,10-13H2,1H3,(H,25,28)
InChIKeyGOORYJVRKVTISP-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.68
Rot. Bonds5

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

N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 68988911) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide
PubChem CID68988911
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(F)c1
InChIInChI=1S/C22H23FN4O2/c1-16(28)25-18-7-8-20(19(23)15-18)26-10-12-27(13-11-26)21(22-24-9-14-29-22)17-5-3-2-4-6-17/h2-9,14-15,21H,10-13H2,1H3,(H,25,28)
InChIKeyGOORYJVRKVTISP-UHFFFAOYSA-N
XLogP3.68
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide (CID 68988911) is N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is GOORYJVRKVTISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-16(28)25-18-7-8-20(19(23)15-18)26-10-12-27(13-11-26)21(22-24-9-14-29-22)17-5-3-2-4-6-17/h2-9,14-15,21H,10-13H2,1H3,(H,25,28).
What are the key properties of N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide?
N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 68988911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).