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

C18H25N5O3 — CID 91918775

IUPAC(2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C18H25N5O3/c1-2-23-15(5-8-19-23)18(24)22-9-3-4-14(12-22)17-20-16(21-26-17)13-6-10-25-11-7-13/h5,8,13-14H,2-4,6-7,9-12H2,1H3
InChIKeyYXHWNOLISGBHJS-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.20
Rot. Bonds4

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

(2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 91918775) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID91918775
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C18H25N5O3/c1-2-23-15(5-8-19-23)18(24)22-9-3-4-14(12-22)17-20-16(21-26-17)13-6-10-25-11-7-13/h5,8,13-14H,2-4,6-7,9-12H2,1H3
InChIKeyYXHWNOLISGBHJS-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 91918775) is (2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCC(c2nc(C3CCOCC3)no2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is YXHWNOLISGBHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-2-23-15(5-8-19-23)18(24)22-9-3-4-14(12-22)17-20-16(21-26-17)13-6-10-25-11-7-13/h5,8,13-14H,2-4,6-7,9-12H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).