N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

C15H23N5O — CID 106416318

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2ccn(C3CCCCC3)n2)no1
InChIInChI=1S/C15H23N5O/c1-12-17-15(19-21-12)7-9-16-11-13-8-10-20(18-13)14-5-3-2-4-6-14/h8,10,14,16H,2-7,9,11H2,1H3
InChIKeyOBOMLEKUYBXGBX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds6

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106416318) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106416318
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2ccn(C3CCCCC3)n2)no1
InChIInChI=1S/C15H23N5O/c1-12-17-15(19-21-12)7-9-16-11-13-8-10-20(18-13)14-5-3-2-4-6-14/h8,10,14,16H,2-7,9,11H2,1H3
InChIKeyOBOMLEKUYBXGBX-UHFFFAOYSA-N
XLogP2.41
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401286
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400354
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
CID 64799703
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106373039
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
CID 64801637
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416497

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 106416318) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is Cc1nc(CCNCc2ccn(C3CCCCC3)n2)no1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is OBOMLEKUYBXGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-17-15(19-21-12)7-9-16-11-13-8-10-20(18-13)14-5-3-2-4-6-14/h8,10,14,16H,2-7,9,11H2,1H3.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106416318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).