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

C16H17FN4O3 — CID 122160237

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H17FN4O3/c17-11-7-18-16(19-8-11)23-12-2-1-5-21(9-12)15(22)13-6-14(24-20-13)10-3-4-10/h6-8,10,12H,1-5,9H2
InChIKeyPDSBGDQEGBHDDQ-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.16
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 122160237) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID122160237
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H17FN4O3/c17-11-7-18-16(19-8-11)23-12-2-1-5-21(9-12)15(22)13-6-14(24-20-13)10-3-4-10/h6-8,10,12H,1-5,9H2
InChIKeyPDSBGDQEGBHDDQ-UHFFFAOYSA-N
XLogP2.16
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 122160237) is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is O=C(c1cc(C2CC2)on1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is PDSBGDQEGBHDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-11-7-18-16(19-8-11)23-12-2-1-5-21(9-12)15(22)13-6-14(24-20-13)10-3-4-10/h6-8,10,12H,1-5,9H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 332.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122160237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).