cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone

C20H23FN2O2 — CID 110110461

IUPACcyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone
SMILESCC1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)C1CCC1
InChIInChI=1S/C20H23FN2O2/c1-20(9-4-10-23(20)18(24)15-6-3-7-15)19-22-13-17(25-19)12-14-5-2-8-16(21)11-14/h2,5,8,11,13,15H,3-4,6-7,9-10,12H2,1H3
InChIKeyVWGLVJXXZDIZNS-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.04
Rot. Bonds4

About cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone

cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone (PubChem CID 110110461) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone
PubChem CID110110461
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Namecyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone
SMILESCC1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)C1CCC1
InChIInChI=1S/C20H23FN2O2/c1-20(9-4-10-23(20)18(24)15-6-3-7-15)19-22-13-17(25-19)12-14-5-2-8-16(21)11-14/h2,5,8,11,13,15H,3-4,6-7,9-10,12H2,1H3
InChIKeyVWGLVJXXZDIZNS-UHFFFAOYSA-N
XLogP4.04
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone
CID 110110786
1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124941072
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 125014318
3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide
CID 110099324
6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 124993154
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124987507
5-[(3-fluorophenyl)methyl]-2-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3-oxazole
CID 124960502
2-(dimethylamino)-1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125003240
(2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125004181
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 125020355
1-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 110119429
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 125013432

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone (CID 110110461) is cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone is CC1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is VWGLVJXXZDIZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-20(9-4-10-23(20)18(24)15-6-3-7-15)19-22-13-17(25-19)12-14-5-2-8-16(21)11-14/h2,5,8,11,13,15H,3-4,6-7,9-10,12H2,1H3.
What are the key properties of cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone?
cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 342.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 110110461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).