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

C18H25N5O3 — CID 91918875

IUPAC(2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C18H25N5O3/c1-22-15(2-7-19-22)18(24)23-8-3-13(4-9-23)12-16-20-17(21-26-16)14-5-10-25-11-6-14/h2,7,13-14H,3-6,8-12H2,1H3
InChIKeyLYHRSBMZLHVMBJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.79
Rot. Bonds4

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

(2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 91918875) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID91918875
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C18H25N5O3/c1-22-15(2-7-19-22)18(24)23-8-3-13(4-9-23)12-16-20-17(21-26-16)14-5-10-25-11-6-14/h2,7,13-14H,3-6,8-12H2,1H3
InChIKeyLYHRSBMZLHVMBJ-UHFFFAOYSA-N
XLogP1.79
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 91918875) is (2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is LYHRSBMZLHVMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-22-15(2-7-19-22)18(24)23-8-3-13(4-9-23)12-16-20-17(21-26-16)14-5-10-25-11-6-14/h2,7,13-14H,3-6,8-12H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).