3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

C18H20F2N2O2 — CID 18135516

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1
InChIInChI=1S/C18H20F2N2O2/c1-12-6-8-22(9-7-12)18(23)5-4-17-21-11-16(24-17)14-3-2-13(19)10-15(14)20/h2-3,10-12H,4-9H2,1H3
InChIKeyLXAILOZLGWFQNR-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.81
Rot. Bonds4

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 18135516) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID18135516
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1
InChIInChI=1S/C18H20F2N2O2/c1-12-6-8-22(9-7-12)18(23)5-4-17-21-11-16(24-17)14-3-2-13(19)10-15(14)20/h2-3,10-12H,4-9H2,1H3
InChIKeyLXAILOZLGWFQNR-UHFFFAOYSA-N
XLogP3.81
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540119
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119650098
2-[(2R)-4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124704911
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 60551952
1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119374553
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 120748808
5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16623139
1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55959264
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451500
1-[2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544319
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55541606
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 18135516) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is LXAILOZLGWFQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12-6-8-22(9-7-12)18(23)5-4-17-21-11-16(24-17)14-3-2-13(19)10-15(14)20/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 334.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 18135516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).