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

C14H19N5O3 — CID 91918460

IUPAC[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCc1nc(C2CCCN(C(=O)c3nccn3C)C2)no1
InChIInChI=1S/C14H19N5O3/c1-18-7-5-15-13(18)14(20)19-6-3-4-10(8-19)12-16-11(9-21-2)22-17-12/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyUPCHEUQKOORZFA-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.97
Rot. Bonds4

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

[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 91918460) 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]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID91918460
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCOCc1nc(C2CCCN(C(=O)c3nccn3C)C2)no1
InChIInChI=1S/C14H19N5O3/c1-18-7-5-15-13(18)14(20)19-6-3-4-10(8-19)12-16-11(9-21-2)22-17-12/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyUPCHEUQKOORZFA-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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Related Compounds

1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 16191361
4-(2-Methylimidazol-1-yl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 72146979
3-Imidazol-1-yl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 72146980
4-(2-Methylimidazol-1-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 72147029
4-Imidazol-1-yl-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 72147118
2-(2-isopropyl-1H-imidazol-1-yl)-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
CID 72907058
5-(Methoxymethyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 95824499
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 95824615
{3-[(2-ethyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}methyl methyl ether
CID 53193146
1-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidino}-2-(1H-imidazol-1-yl)-1-ethanone
CID 71686983
1-[3-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 71686984
1-{3-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidino}-2-(2-methyl-1H-imidazol-1-yl)-1-ethanone
CID 71687001

Frequently Asked Questions

What is the IUPAC name of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 91918460) is [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is COCc1nc(C2CCCN(C(=O)c3nccn3C)C2)no1.
What is the InChIKey of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is UPCHEUQKOORZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-18-7-5-15-13(18)14(20)19-6-3-4-10(8-19)12-16-11(9-21-2)22-17-12/h5,7,10H,3-4,6,8-9H2,1-2H3.
What are the key properties of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylimidazol-2-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]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 91918460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).