(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone

C15H17FN4O3 — CID 122258465

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H17FN4O3/c1-9-13(10(2)23-19-9)14(21)20-5-3-4-12(8-20)22-15-17-6-11(16)7-18-15/h6-7,12H,3-5,8H2,1-2H3
InChIKeyVKGPDGWHJFRIHJ-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.90
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 122258465) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID122258465
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H17FN4O3/c1-9-13(10(2)23-19-9)14(21)20-5-3-4-12(8-20)22-15-17-6-11(16)7-18-15/h6-7,12H,3-5,8H2,1-2H3
InChIKeyVKGPDGWHJFRIHJ-UHFFFAOYSA-N
XLogP1.90
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 122258465) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is VKGPDGWHJFRIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-9-13(10(2)23-19-9)14(21)20-5-3-4-12(8-20)22-15-17-6-11(16)7-18-15/h6-7,12H,3-5,8H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 320.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122258465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).