[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

C17H16N4O4 — CID 121161763

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C17H16N4O4/c22-17(13-10-15(25-20-13)14-2-1-9-23-14)21-7-4-12(5-8-21)24-16-3-6-18-11-19-16/h1-3,6,9-12H,4-5,7-8H2
InChIKeyVIUMUFLZWDSVNK-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.41
Rot. Bonds4

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 121161763) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID121161763
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C17H16N4O4/c22-17(13-10-15(25-20-13)14-2-1-9-23-14)21-7-4-12(5-8-21)24-16-3-6-18-11-19-16/h1-3,6,9-12H,4-5,7-8H2
InChIKeyVIUMUFLZWDSVNK-UHFFFAOYSA-N
XLogP2.41
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone with MolForge

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Related Compounds

(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162062
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255659
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
(5-phenyl-1,2-oxazol-3-yl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 71799248
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 99878776
(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162010
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
CID 66083527
1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 110328710
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 121161763) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is O=C(c1cc(-c2ccco2)on1)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is VIUMUFLZWDSVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c22-17(13-10-15(25-20-13)14-2-1-9-23-14)21-7-4-12(5-8-21)24-16-3-6-18-11-19-16/h1-3,6,9-12H,4-5,7-8H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 340.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121161763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).