N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide

C16H21FN4O2 — CID 20619494

IUPACN-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide
SMILESCC(=O)NCN1C=C(c2ccc(N3CCNCC3)c(F)c2)CO1
InChIInChI=1S/C16H21FN4O2/c1-12(22)19-11-21-9-14(10-23-21)13-2-3-16(15(17)8-13)20-6-4-18-5-7-20/h2-3,8-9,18H,4-7,10-11H2,1H3,(H,19,22)
InChIKeyPYFIFCSJRXQPIS-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.92
Rot. Bonds4

About N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide

N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide (PubChem CID 20619494) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide
PubChem CID20619494
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC NameN-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide
SMILESCC(=O)NCN1C=C(c2ccc(N3CCNCC3)c(F)c2)CO1
InChIInChI=1S/C16H21FN4O2/c1-12(22)19-11-21-9-14(10-23-21)13-2-3-16(15(17)8-13)20-6-4-18-5-7-20/h2-3,8-9,18H,4-7,10-11H2,1H3,(H,19,22)
InChIKeyPYFIFCSJRXQPIS-UHFFFAOYSA-N
XLogP0.92
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide (CID 20619494) is N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide is CC(=O)NCN1C=C(c2ccc(N3CCNCC3)c(F)c2)CO1.
What is the InChIKey of N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide?
The InChIKey is PYFIFCSJRXQPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-12(22)19-11-21-9-14(10-23-21)13-2-3-16(15(17)8-13)20-6-4-18-5-7-20/h2-3,8-9,18H,4-7,10-11H2,1H3,(H,19,22).
What are the key properties of N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide?
N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide has a molecular weight of 320.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide is sourced from PubChem (CID 20619494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).