1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone

C23H22F2N2O3 — CID 110119807

IUPAC1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCCC(c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C23H22F2N2O3/c24-18-8-9-21(20(25)12-18)29-15-22(28)27-10-4-7-17(14-27)23-26-13-19(30-23)11-16-5-2-1-3-6-16/h1-3,5-6,8-9,12-13,17H,4,7,10-11,14-15H2
InChIKeySGFDTGQKKZOFQQ-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.33
Rot. Bonds6

About 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone

1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone (PubChem CID 110119807) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
PubChem CID110119807
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCCC(c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C23H22F2N2O3/c24-18-8-9-21(20(25)12-18)29-15-22(28)27-10-4-7-17(14-27)23-26-13-19(30-23)11-16-5-2-1-3-6-16/h1-3,5-6,8-9,12-13,17H,4,7,10-11,14-15H2
InChIKeySGFDTGQKKZOFQQ-UHFFFAOYSA-N
XLogP4.33
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone with MolForge

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Related Compounds

2-(2,4-difluorophenoxy)-1-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124947189
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 125007547
1-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 124990410
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone
CID 125001091
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490
2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119789
1-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124948495
1-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 124980496
1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 129457194
2-(4-fluorophenoxy)-1-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124960666
1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 110119612
2-(3-chloro-4-fluorophenoxy)-1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125026628

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone?
The IUPAC name of 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone (CID 110119807) is 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone.
What is the SMILES notation for 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone?
The canonical SMILES for 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone is O=C(COc1ccc(F)cc1F)N1CCCC(c2ncc(Cc3ccccc3)o2)C1.
What is the InChIKey of 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone?
The InChIKey is SGFDTGQKKZOFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c24-18-8-9-21(20(25)12-18)29-15-22(28)27-10-4-7-17(14-27)23-26-13-19(30-23)11-16-5-2-1-3-6-16/h1-3,5-6,8-9,12-13,17H,4,7,10-11,14-15H2.
What are the key properties of 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone?
1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone has a molecular weight of 412.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone is sourced from PubChem (CID 110119807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).