4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid

C14H17N5O5 — CID 68785103

IUPAC4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid
SMILESCOc1ncc(-c2noc(COC3CCN(C(=O)O)CC3)n2)cn1
InChIInChI=1S/C14H17N5O5/c1-22-13-15-6-9(7-16-13)12-17-11(24-18-12)8-23-10-2-4-19(5-3-10)14(20)21/h6-7,10H,2-5,8H2,1H3,(H,20,21)
InChIKeySTJWLGLLSURPRS-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.19
Rot. Bonds5

About 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid

4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid (PubChem CID 68785103) has the molecular formula C14H17N5O5 and a molecular weight of 335.32 g/mol. Its IUPAC name is 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid
PubChem CID68785103
Molecular FormulaC14H17N5O5
Molecular Weight335.32 g/mol
Exact Mass335.12
IUPAC Name4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid
SMILESCOc1ncc(-c2noc(COC3CCN(C(=O)O)CC3)n2)cn1
InChIInChI=1S/C14H17N5O5/c1-22-13-15-6-9(7-16-13)12-17-11(24-18-12)8-23-10-2-4-19(5-3-10)14(20)21/h6-7,10H,2-5,8H2,1H3,(H,20,21)
InChIKeySTJWLGLLSURPRS-UHFFFAOYSA-N
XLogP1.19
TPSA123.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid with MolForge

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Related Compounds

3-(2-methoxypyrimidin-5-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 66743433
2,2-dimethyl-1-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]propan-1-one
CID 11175343
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
4-[[3-[3-fluoro-4-(3-hydroxypropylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid
CID 140545311
(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11464779
tert-butyl 4-[[3-(3-methoxy-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022787
propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022689
pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11749160
1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623292
cyclobutyl-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 71687042
(2-methoxypyrimidin-5-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119059010
1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one
CID 163338329

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid (CID 68785103) is 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid is COc1ncc(-c2noc(COC3CCN(C(=O)O)CC3)n2)cn1.
What is the InChIKey of 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid?
The InChIKey is STJWLGLLSURPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O5/c1-22-13-15-6-9(7-16-13)12-17-11(24-18-12)8-23-10-2-4-19(5-3-10)14(20)21/h6-7,10H,2-5,8H2,1H3,(H,20,21).
What are the key properties of 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid?
4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid has a molecular weight of 335.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 68785103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).