3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole

C17H25N5O2 — CID 71687032

IUPAC3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)cc1CN1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C17H25N5O2/c1-12-14(8-21(2)19-12)9-22-7-3-4-15(10-22)23-11-16-18-17(20-24-16)13-5-6-13/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyOQCZKQQBLJKAOB-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.17
Rot. Bonds6

About 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (PubChem CID 71687032) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
PubChem CID71687032
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESCc1nn(C)cc1CN1CCCC(OCc2nc(C3CC3)no2)C1
InChIInChI=1S/C17H25N5O2/c1-12-14(8-21(2)19-12)9-22-7-3-4-15(10-22)23-11-16-18-17(20-24-16)13-5-6-13/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyOQCZKQQBLJKAOB-UHFFFAOYSA-N
XLogP2.17
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 163338903
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 163339418
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95990830
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
5-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 167877520
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-3-ylmethanone
CID 71687021
5-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92555636
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 71687010
(3R)-N-benzyl-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
CID 95990869
2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
CID 163338975

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (CID 71687032) is 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is Cc1nn(C)cc1CN1CCCC(OCc2nc(C3CC3)no2)C1.
What is the InChIKey of 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The InChIKey is OQCZKQQBLJKAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-14(8-21(2)19-12)9-22-7-3-4-15(10-22)23-11-16-18-17(20-24-16)13-5-6-13/h8,13,15H,3-7,9-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole has a molecular weight of 331.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71687032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).