[3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

C14H22N6O — CID 120752786

IUPAC[3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCn1cc(C2CCN(Cc3noc(CN)n3)CC2)cn1
InChIInChI=1S/C14H22N6O/c1-2-20-9-12(8-16-20)11-3-5-19(6-4-11)10-13-17-14(7-15)21-18-13/h8-9,11H,2-7,10,15H2,1H3
InChIKeyGOQODBYMHSDFGP-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.12
Rot. Bonds5

About [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120752786) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120752786
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name[3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCn1cc(C2CCN(Cc3noc(CN)n3)CC2)cn1
InChIInChI=1S/C14H22N6O/c1-2-20-9-12(8-16-20)11-3-5-19(6-4-11)10-13-17-14(7-15)21-18-13/h8-9,11H,2-7,10,15H2,1H3
InChIKeyGOQODBYMHSDFGP-UHFFFAOYSA-N
XLogP1.12
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752876
4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 86773638
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
[3-[[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751885
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 120752659
[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751532
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752882
3-cyclopropyl-5-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773607
2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 120752852
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72939419
[3-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752310

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120752786) is [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is CCn1cc(C2CCN(Cc3noc(CN)n3)CC2)cn1.
What is the InChIKey of [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is GOQODBYMHSDFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-20-9-12(8-16-20)11-3-5-19(6-4-11)10-13-17-14(7-15)21-18-13/h8-9,11H,2-7,10,15H2,1H3.
What are the key properties of [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 290.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120752786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).