3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole

C13H17N5O3 — CID 66743433

IUPAC3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESCOc1ncc(-c2noc(COC3CCNCC3)n2)cn1
InChIInChI=1S/C13H17N5O3/c1-19-13-15-6-9(7-16-13)12-17-11(21-18-12)8-20-10-2-4-14-5-3-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeyNPBIVOGRXWVAFN-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.80
Rot. Bonds5

About 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole

3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 66743433) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
PubChem CID66743433
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESCOc1ncc(-c2noc(COC3CCNCC3)n2)cn1
InChIInChI=1S/C13H17N5O3/c1-19-13-15-6-9(7-16-13)12-17-11(21-18-12)8-20-10-2-4-14-5-3-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeyNPBIVOGRXWVAFN-UHFFFAOYSA-N
XLogP0.80
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid
CID 68785103
3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 81261780
3-(3-bromophenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 63870917
ethane;3-(3-ethyl-4-methylsulfinylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 143388136
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377
3-(ethylsulfanylmethyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65131187
N,N-diethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63871053
5-(piperidin-4-yloxymethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
CID 63871721
3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65330329
4-ethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79665077
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443994
4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 114764927

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (CID 66743433) is 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is COc1ncc(-c2noc(COC3CCNCC3)n2)cn1.
What is the InChIKey of 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is NPBIVOGRXWVAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-19-13-15-6-9(7-16-13)12-17-11(21-18-12)8-20-10-2-4-14-5-3-10/h6-7,10,14H,2-5,8H2,1H3.
What are the key properties of 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 291.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 66743433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).