[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C19H20FN5O3 — CID 91918567

IUPAC[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C19H20FN5O3/c1-24-15(8-9-21-24)19(26)25-10-4-5-13(11-25)18-22-17(28-23-18)12-27-16-7-3-2-6-14(16)20/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyKHGKBGLPXAQOGB-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.54
Rot. Bonds5

About [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91918567) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91918567
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C19H20FN5O3/c1-24-15(8-9-21-24)19(26)25-10-4-5-13(11-25)18-22-17(28-23-18)12-27-16-7-3-2-6-14(16)20/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyKHGKBGLPXAQOGB-UHFFFAOYSA-N
XLogP2.54
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91918567) is [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is KHGKBGLPXAQOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-24-15(8-9-21-24)19(26)25-10-4-5-13(11-25)18-22-17(28-23-18)12-27-16-7-3-2-6-14(16)20/h2-3,6-9,13H,4-5,10-12H2,1H3.
What are the key properties of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 385.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91918567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).