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

C14H21N5O — CID 106400354

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESc1noc(CCNCc2ccn(C3CCCCC3)n2)n1
InChIInChI=1S/C14H21N5O/c1-2-4-13(5-3-1)19-9-7-12(18-19)10-15-8-6-14-16-11-17-20-14/h7,9,11,13,15H,1-6,8,10H2
InChIKeyVHUFLXRAYKDWEP-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.10
Rot. Bonds6

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

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 106400354) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID106400354
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESc1noc(CCNCc2ccn(C3CCCCC3)n2)n1
InChIInChI=1S/C14H21N5O/c1-2-4-13(5-3-1)19-9-7-12(18-19)10-15-8-6-14-16-11-17-20-14/h7,9,11,13,15H,1-6,8,10H2
InChIKeyVHUFLXRAYKDWEP-UHFFFAOYSA-N
XLogP2.10
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
CID 64799703
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401286
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106416318
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-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285
1-(1-cyclohexylpyrazol-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106373039

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 106400354) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is c1noc(CCNCc2ccn(C3CCCCC3)n2)n1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is VHUFLXRAYKDWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-4-13(5-3-1)19-9-7-12(18-19)10-15-8-6-14-16-11-17-20-14/h7,9,11,13,15H,1-6,8,10H2.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 275.36 g/mol, XLogP of 2.10, 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-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 106400354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).