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

C17H18F2N2O3 — CID 97131335

IUPAC2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2F)no1
InChIInChI=1S/C17H18F2N2O3/c1-11-8-14(20-24-11)15-4-2-3-7-21(15)17(22)10-23-16-6-5-12(18)9-13(16)19/h5-6,8-9,15H,2-4,7,10H2,1H3/t15-/m0/s1
InChIKeyINIVYUWFNMIFPM-HNNXBMFYSA-N
MW336.34 g/mol
LogP3.39
Rot. Bonds4

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

2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 97131335) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
PubChem CID97131335
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2F)no1
InChIInChI=1S/C17H18F2N2O3/c1-11-8-14(20-24-11)15-4-2-3-7-21(15)17(22)10-23-16-6-5-12(18)9-13(16)19/h5-6,8-9,15H,2-4,7,10H2,1H3/t15-/m0/s1
InChIKeyINIVYUWFNMIFPM-HNNXBMFYSA-N
XLogP3.39
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[2-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzaldehyde
CID 136522860
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961
1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 55595656
1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 43355976
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
2-(2-fluorophenoxy)-1-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 97345444
2-(2,4-difluorophenoxy)-1-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92637446
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
2-(2,4-difluorophenoxy)-1-[(2R)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]ethanone
CID 95833869
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
2-(2,4-difluorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119649656

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone (CID 97131335) is 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone is Cc1cc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2F)no1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is INIVYUWFNMIFPM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-11-8-14(20-24-11)15-4-2-3-7-21(15)17(22)10-23-16-6-5-12(18)9-13(16)19/h5-6,8-9,15H,2-4,7,10H2,1H3/t15-/m0/s1.
What are the key properties of 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone?
2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 336.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97131335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).