2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C23H21ClF2N2O3 — CID 110119789

IUPAC2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)c(Cl)c1)N1CCCC(c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C23H21ClF2N2O3/c24-20-11-18(6-7-21(20)26)30-14-22(29)28-8-2-4-16(13-28)23-27-12-19(31-23)10-15-3-1-5-17(25)9-15/h1,3,5-7,9,11-12,16H,2,4,8,10,13-14H2
InChIKeyNXVKUTDUIMQHHQ-UHFFFAOYSA-N
MW446.88 g/mol
LogP4.98
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 110119789) has the molecular formula C23H21ClF2N2O3 and a molecular weight of 446.88 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID110119789
Molecular FormulaC23H21ClF2N2O3
Molecular Weight446.88 g/mol
Exact Mass446.12
IUPAC Name2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)c(Cl)c1)N1CCCC(c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C23H21ClF2N2O3/c24-20-11-18(6-7-21(20)26)30-14-22(29)28-8-2-4-16(13-28)23-27-12-19(31-23)10-15-3-1-5-17(25)9-15/h1,3,5-7,9,11-12,16H,2,4,8,10,13-14H2
InChIKeyNXVKUTDUIMQHHQ-UHFFFAOYSA-N
XLogP4.98
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125026628
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-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119432
2-(2,4-difluorophenoxy)-1-[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124947189
1-[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 110119807
1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 124956590
1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124996174
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
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125023481

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 110119789) is 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is O=C(COc1ccc(F)c(Cl)c1)N1CCCC(c2ncc(Cc3cccc(F)c3)o2)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is NXVKUTDUIMQHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N2O3/c24-20-11-18(6-7-21(20)26)30-14-22(29)28-8-2-4-16(13-28)23-27-12-19(31-23)10-15-3-1-5-17(25)9-15/h1,3,5-7,9,11-12,16H,2,4,8,10,13-14H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 446.88 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110119789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).