[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone

C23H19FN4O3 — CID 122258492

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESO=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C23H19FN4O3/c24-17-12-25-23(26-13-17)30-18-7-4-10-28(14-18)22(29)16-8-9-20-19(11-16)21(31-27-20)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13,18H,4,7,10,14H2
InChIKeyXAXKXMAGFUIYMS-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.11
Rot. Bonds4

About [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone (PubChem CID 122258492) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
PubChem CID122258492
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESO=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C23H19FN4O3/c24-17-12-25-23(26-13-17)30-18-7-4-10-28(14-18)22(29)16-8-9-20-19(11-16)21(31-27-20)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13,18H,4,7,10,14H2
InChIKeyXAXKXMAGFUIYMS-UHFFFAOYSA-N
XLogP4.11
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone with MolForge

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Related Compounds

azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 119100475
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 90637498
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122258532
(3-fluoro-4-methoxyphenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122160980
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51923600
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122160225
(3-methylsulfonylpyrrolidin-1-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 90586999

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone (CID 122258492) is [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone is O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The InChIKey is XAXKXMAGFUIYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c24-17-12-25-23(26-13-17)30-18-7-4-10-28(14-18)22(29)16-8-9-20-19(11-16)21(31-27-20)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13,18H,4,7,10,14H2.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone has a molecular weight of 418.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone is sourced from PubChem (CID 122258492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).