4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one

C16H19FN4O2 — CID 126810836

IUPAC4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCc1cc(-c2noc(CN3CCNC(=O)C3(C)C)n2)ccc1F
InChIInChI=1S/C16H19FN4O2/c1-10-8-11(4-5-12(10)17)14-19-13(23-20-14)9-21-7-6-18-15(22)16(21,2)3/h4-5,8H,6-7,9H2,1-3H3,(H,18,22)
InChIKeyPINKTRZDYNLQAP-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.89
Rot. Bonds3

About 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one

4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one (PubChem CID 126810836) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one
PubChem CID126810836
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCc1cc(-c2noc(CN3CCNC(=O)C3(C)C)n2)ccc1F
InChIInChI=1S/C16H19FN4O2/c1-10-8-11(4-5-12(10)17)14-19-13(23-20-14)9-21-7-6-18-15(22)16(21,2)3/h4-5,8H,6-7,9H2,1-3H3,(H,18,22)
InChIKeyPINKTRZDYNLQAP-UHFFFAOYSA-N
XLogP1.89
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluoro-3-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 136549348
(3S)-3-ethyl-4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-2-one
CID 136585931
3-(4-fluoro-3-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371734
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
[1-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 126803762
3-(4-fluoro-3-methylphenyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120838758
3-(4-fluoro-3-methylphenyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119948241
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylazetidin-1-yl)propan-1-one
CID 100727819
[1-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161823
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
2-[(2S)-4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125120141

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one (CID 126810836) is 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one is Cc1cc(-c2noc(CN3CCNC(=O)C3(C)C)n2)ccc1F.
What is the InChIKey of 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is PINKTRZDYNLQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10-8-11(4-5-12(10)17)14-19-13(23-20-14)9-21-7-6-18-15(22)16(21,2)3/h4-5,8H,6-7,9H2,1-3H3,(H,18,22).
What are the key properties of 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one?
4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 318.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 126810836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).