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

C14H19N5O3 — CID 91907854

IUPAC[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCc1nc(C2CCCN(C(=O)c3ccnn3C)C2)no1
InChIInChI=1S/C14H19N5O3/c1-18-11(5-6-15-18)14(20)19-7-3-4-10(8-19)13-16-12(9-21-2)22-17-13/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyIELZBIOXPDTQDY-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.97
Rot. Bonds4

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

[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91907854) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91907854
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCc1nc(C2CCCN(C(=O)c3ccnn3C)C2)no1
InChIInChI=1S/C14H19N5O3/c1-18-11(5-6-15-18)14(20)19-7-3-4-10(8-19)13-16-12(9-21-2)22-17-13/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyIELZBIOXPDTQDY-UHFFFAOYSA-N
XLogP0.97
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91907854) is [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is COCc1nc(C2CCCN(C(=O)c3ccnn3C)C2)no1.
What is the InChIKey of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is IELZBIOXPDTQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-18-11(5-6-15-18)14(20)19-7-3-4-10(8-19)13-16-12(9-21-2)22-17-13/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 305.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91907854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).