1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C19H23FN2O2 — CID 110131528

IUPAC1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1ncc(Cc2ccccc2F)o1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)18(23)22-10-6-9-16(22)17-21-12-14(24-17)11-13-7-4-5-8-15(13)20/h4-5,7-8,12,16H,6,9-11H2,1-3H3
InChIKeyVWAWUIMBKFEDKZ-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.11
Rot. Bonds3

About 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 110131528) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID110131528
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1c1ncc(Cc2ccccc2F)o1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)18(23)22-10-6-9-16(22)17-21-12-14(24-17)11-13-7-4-5-8-15(13)20/h4-5,7-8,12,16H,6,9-11H2,1-3H3
InChIKeyVWAWUIMBKFEDKZ-UHFFFAOYSA-N
XLogP4.11
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 125001958
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125019117
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 110131538
[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026997
1-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124982429
1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 125012704
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129457982
N-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110120557
2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129458192
1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 124992183
2-[(2-fluorophenyl)methyl-methylamino]-1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 155983761
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 155902667

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 110131528) is 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC1c1ncc(Cc2ccccc2F)o1.
What is the InChIKey of 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is VWAWUIMBKFEDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-19(2,3)18(23)22-10-6-9-16(22)17-21-12-14(24-17)11-13-7-4-5-8-15(13)20/h4-5,7-8,12,16H,6,9-11H2,1-3H3.
What are the key properties of 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 330.40 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 110131528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).