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

C20H26FN3O2 — CID 110099354

IUPAC2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC(C)(c2ncc(Cc3ccccc3F)o2)CC1
InChIInChI=1S/C20H26FN3O2/c1-20(8-10-24(11-9-20)18(25)14-23(2)3)19-22-13-16(26-19)12-15-6-4-5-7-17(15)21/h4-7,13H,8-12,14H2,1-3H3
InChIKeyJPAACYORGWIAIL-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.85
Rot. Bonds5

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

2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone (PubChem CID 110099354) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone
PubChem CID110099354
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCC(C)(c2ncc(Cc3ccccc3F)o2)CC1
InChIInChI=1S/C20H26FN3O2/c1-20(8-10-24(11-9-20)18(25)14-23(2)3)19-22-13-16(26-19)12-15-6-4-5-7-17(15)21/h4-7,13H,8-12,14H2,1-3H3
InChIKeyJPAACYORGWIAIL-UHFFFAOYSA-N
XLogP2.85
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone (CID 110099354) is 2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone is CN(C)CC(=O)N1CCC(C)(c2ncc(Cc3ccccc3F)o2)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone?
The InChIKey is JPAACYORGWIAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-20(8-10-24(11-9-20)18(25)14-23(2)3)19-22-13-16(26-19)12-15-6-4-5-7-17(15)21/h4-7,13H,8-12,14H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone has a molecular weight of 359.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 110099354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).