4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile

C17H19FN4O — CID 32742374

IUPAC4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCc1cc(CN2CCN(Cc3cc(C#N)ccc3F)CC2)on1
InChIInChI=1S/C17H19FN4O/c1-13-8-16(23-20-13)12-22-6-4-21(5-7-22)11-15-9-14(10-19)2-3-17(15)18/h2-3,8-9H,4-7,11-12H2,1H3
InChIKeyOMEPMJUNZQVNEX-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.31
Rot. Bonds4

About 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile

4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile (PubChem CID 32742374) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
PubChem CID32742374
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCc1cc(CN2CCN(Cc3cc(C#N)ccc3F)CC2)on1
InChIInChI=1S/C17H19FN4O/c1-13-8-16(23-20-13)12-22-6-4-21(5-7-22)11-15-9-14(10-19)2-3-17(15)18/h2-3,8-9H,4-7,11-12H2,1H3
InChIKeyOMEPMJUNZQVNEX-UHFFFAOYSA-N
XLogP2.31
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

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4-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile
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3-[[4-(2-cyanopropan-2-yl)piperazin-1-yl]methyl]-4-fluorobenzonitrile
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4-fluoro-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzonitrile
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1-[(5-cyano-2-fluorophenyl)methyl]piperidine-4-carbonitrile
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3-[(4-cyclopentylpiperazin-1-yl)methyl]-4-fluorobenzonitrile
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4-fluoro-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzonitrile
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4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile (CID 32742374) is 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile is Cc1cc(CN2CCN(Cc3cc(C#N)ccc3F)CC2)on1.
What is the InChIKey of 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The InChIKey is OMEPMJUNZQVNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-13-8-16(23-20-13)12-22-6-4-21(5-7-22)11-15-9-14(10-19)2-3-17(15)18/h2-3,8-9H,4-7,11-12H2,1H3.
What are the key properties of 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile has a molecular weight of 314.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 32742374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).