(2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone

C17H20FN3O3 — CID 71877149

IUPAC(2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3C)no2)c(F)c1
InChIInChI=1S/C17H20FN3O3/c1-11-10-20(2)6-7-21(11)17(22)15-9-16(24-19-15)13-5-4-12(23-3)8-14(13)18/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyRQLIHTSEUKJQBB-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.27
Rot. Bonds3

About (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone

(2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 71877149) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID71877149
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3C)no2)c(F)c1
InChIInChI=1S/C17H20FN3O3/c1-11-10-20(2)6-7-21(11)17(22)15-9-16(24-19-15)13-5-4-12(23-3)8-14(13)18/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyRQLIHTSEUKJQBB-UHFFFAOYSA-N
XLogP2.27
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

(2,5-dimethoxyphenyl)-[(2S)-2,4-dimethylpiperazin-1-yl]methanone
CID 97094005
(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 71877262
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 176716360
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-fluoro-5-methoxy-4-methylphenyl)methanone
CID 146329900
(2,4-dimethylpiperazin-1-yl)-(1-methoxyisoquinolin-3-yl)methanone
CID 71877416
[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 49028493
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
(2,4-dimethylpiperazin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 113233774
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313518
(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 154607808

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 71877149) is (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(C)CC3C)no2)c(F)c1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is RQLIHTSEUKJQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-10-20(2)6-7-21(11)17(22)15-9-16(24-19-15)13-5-4-12(23-3)8-14(13)18/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
(2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 333.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 71877149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).