[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C21H25F2N3O4 — CID 25301894

IUPAC[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(COc2c(F)cccc2F)on1)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C21H25F2N3O4/c22-17-4-1-5-18(23)20(17)29-14-16-11-19(24-30-16)21(27)26-6-2-3-15(13-26)12-25-7-9-28-10-8-25/h1,4-5,11,15H,2-3,6-10,12-14H2/t15-/m1/s1
InChIKeyINKDBCNOGTWMLL-OAHLLOKOSA-N
MW421.44 g/mol
LogP2.72
Rot. Bonds6

About [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 25301894) has the molecular formula C21H25F2N3O4 and a molecular weight of 421.44 g/mol. Its IUPAC name is [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID25301894
Molecular FormulaC21H25F2N3O4
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC Name[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(COc2c(F)cccc2F)on1)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C21H25F2N3O4/c22-17-4-1-5-18(23)20(17)29-14-16-11-19(24-30-16)21(27)26-6-2-3-15(13-26)12-25-7-9-28-10-8-25/h1,4-5,11,15H,2-3,6-10,12-14H2/t15-/m1/s1
InChIKeyINKDBCNOGTWMLL-OAHLLOKOSA-N
XLogP2.72
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381953
[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 45174429
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 56742487
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 26392318
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 24790853
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
ethyl 2-[(2S)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195750
ethyl 2-[(2R)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195751
(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 25379228

Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 25301894) is [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is O=C(c1cc(COc2c(F)cccc2F)on1)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is INKDBCNOGTWMLL-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25F2N3O4/c22-17-4-1-5-18(23)20(17)29-14-16-11-19(24-30-16)21(27)26-6-2-3-15(13-26)12-25-7-9-28-10-8-25/h1,4-5,11,15H,2-3,6-10,12-14H2/t15-/m1/s1.
What are the key properties of [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 421.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 25301894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).