[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone

C20H15F5N2O2 — CID 66549068

IUPAC[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1C(F)(F)F)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C20H15F5N2O2/c21-12-1-3-14(16(9-12)20(23,24)25)19(28)27-7-5-11(6-8-27)18-15-4-2-13(22)10-17(15)29-26-18/h1-4,9-11H,5-8H2
InChIKeyUWIHZRYNZUNLME-UHFFFAOYSA-N
MW410.34 g/mol
LogP5.14
Rot. Bonds2

About [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone

[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (PubChem CID 66549068) has the molecular formula C20H15F5N2O2 and a molecular weight of 410.34 g/mol. Its IUPAC name is [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
PubChem CID66549068
Molecular FormulaC20H15F5N2O2
Molecular Weight410.34 g/mol
Exact Mass410.11
IUPAC Name[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)cc1C(F)(F)F)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C20H15F5N2O2/c21-12-1-3-14(16(9-12)20(23,24)25)19(28)27-7-5-11(6-8-27)18-15-4-2-13(22)10-17(15)29-26-18/h1-4,9-11H,5-8H2
InChIKeyUWIHZRYNZUNLME-UHFFFAOYSA-N
XLogP5.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 127267392
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
(Z)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid
CID 67070819
4-(6-fluoro-1,2-benzoxazol-3-yl)-N-[6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]hexyl]piperidine-1-carboxamide
CID 59651081
5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 45495525
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(5-methylsulfonyl-2-piperidin-1-ylphenyl)methanone
CID 163477759
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone
CID 46972664
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(3,4,5-trimethoxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)methanone
CID 19886394
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
CID 71708698
N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
CID 155980716
[4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 127042412
[4-fluoro-2-(trifluoromethyl)phenyl]-[(3S)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124571570

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone (CID 66549068) is [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is UWIHZRYNZUNLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N2O2/c21-12-1-3-14(16(9-12)20(23,24)25)19(28)27-7-5-11(6-8-27)18-15-4-2-13(22)10-17(15)29-26-18/h1-4,9-11H,5-8H2.
What are the key properties of [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone?
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 410.34 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 66549068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).