2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone

C19H23FN2O3 — CID 70719519

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN2O3/c1-13-18(14(2)25-21-13)10-19(23)22-9-3-4-15(11-22)12-24-17-7-5-16(20)6-8-17/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyWSUBGVMOAYDHOD-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.29
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone (PubChem CID 70719519) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
PubChem CID70719519
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN2O3/c1-13-18(14(2)25-21-13)10-19(23)22-9-3-4-15(11-22)12-24-17-7-5-16(20)6-8-17/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyWSUBGVMOAYDHOD-UHFFFAOYSA-N
XLogP3.29
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone 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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372864
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]ethanone
CID 154576140
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110103439
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124981984
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 96579568
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 92555581
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 126454145
2-[2-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one
CID 96573280
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70781847
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260314

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone (CID 70719519) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
The InChIKey is WSUBGVMOAYDHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13-18(14(2)25-21-13)10-19(23)22-9-3-4-15(11-22)12-24-17-7-5-16(20)6-8-17/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone has a molecular weight of 346.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70719519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).