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

C21H25FN2O2 — CID 110110462

IUPACcyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone
SMILESCC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H25FN2O2/c1-21(8-10-24(11-9-21)19(25)16-5-3-6-16)20-23-14-18(26-20)13-15-4-2-7-17(22)12-15/h2,4,7,12,14,16H,3,5-6,8-11,13H2,1H3
InChIKeyIMFXUMRBKCQKAU-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.08
Rot. Bonds4

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

cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone (PubChem CID 110110462) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone
PubChem CID110110462
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Namecyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone
SMILESCC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H25FN2O2/c1-21(8-10-24(11-9-21)19(25)16-5-3-6-16)20-23-14-18(26-20)13-15-4-2-7-17(22)12-15/h2,4,7,12,14,16H,3,5-6,8-11,13H2,1H3
InChIKeyIMFXUMRBKCQKAU-UHFFFAOYSA-N
XLogP4.08
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone (CID 110110462) is cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone is CC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone?
The InChIKey is IMFXUMRBKCQKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-21(8-10-24(11-9-21)19(25)16-5-3-6-16)20-23-14-18(26-20)13-15-4-2-7-17(22)12-15/h2,4,7,12,14,16H,3,5-6,8-11,13H2,1H3.
What are the key properties of cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone?
cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 110110462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).