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

C17H23N5O3 — CID 91908034

IUPAC(2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C17H23N5O3/c1-21-14(4-7-18-21)17(23)22-8-2-3-13(11-22)16-19-15(20-25-16)12-5-9-24-10-6-12/h4,7,12-13H,2-3,5-6,8-11H2,1H3
InChIKeyTUOUFRJQCVIRJR-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.72
Rot. Bonds3

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

(2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 91908034) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID91908034
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C17H23N5O3/c1-21-14(4-7-18-21)17(23)22-8-2-3-13(11-22)16-19-15(20-25-16)12-5-9-24-10-6-12/h4,7,12-13H,2-3,5-6,8-11H2,1H3
InChIKeyTUOUFRJQCVIRJR-UHFFFAOYSA-N
XLogP1.72
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.72
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)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 91908034) is (2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCCC(c2nc(C3CCOCC3)no2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is TUOUFRJQCVIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-21-14(4-7-18-21)17(23)22-8-2-3-13(11-22)16-19-15(20-25-16)12-5-9-24-10-6-12/h4,7,12-13H,2-3,5-6,8-11H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91908034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).