1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one

C20H25FN2O2 — CID 110110029

IUPAC1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C)(c2ncc(Cc3cccc(F)c3)o2)CC1
InChIInChI=1S/C20H25FN2O2/c1-14(2)18(24)23-9-7-20(3,8-10-23)19-22-13-17(25-19)12-15-5-4-6-16(21)11-15/h4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeyWWQJQSXXGJTIBZ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.94
Rot. Bonds4

About 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one

1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 110110029) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID110110029
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C)(c2ncc(Cc3cccc(F)c3)o2)CC1
InChIInChI=1S/C20H25FN2O2/c1-14(2)18(24)23-9-7-20(3,8-10-23)19-22-13-17(25-19)12-15-5-4-6-16(21)11-15/h4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeyWWQJQSXXGJTIBZ-UHFFFAOYSA-N
XLogP3.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

7-Phenyl-1-(5-(trifluoromethyl)oxazol-2-yl)heptan-1-one
CID 11991896
1-(5-Methyl-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991888
1-(5-Fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 11991891
(R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-3-methylbutanoic acid
CID 3010269
6-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]hexanenitrile
CID 76328981
2,2-Dimethyl-1-[4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 56793230
1-[4-[[2-(Trifluoromethyl)-1,3-oxazol-5-yl]methyl]phenyl]ethanone
CID 102463238
2-Benzyl-5-methyloxazole
CID 15325136
2-Methyl-5-(2-phenylethyl)-1,3-oxazole
CID 57804803
3-[5-(2,4-Difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 18135834
3-[5-(2-Fluorophenyl)-1,3-oxazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 18135849
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 25662731

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one (CID 110110029) is 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(C)(c2ncc(Cc3cccc(F)c3)o2)CC1.
What is the InChIKey of 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is WWQJQSXXGJTIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)18(24)23-9-7-20(3,8-10-23)19-22-13-17(25-19)12-15-5-4-6-16(21)11-15/h4-6,11,13-14H,7-10,12H2,1-3H3.
What are the key properties of 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one?
1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 344.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110110029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).