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

C11H16ClN5O — CID 114186077

IUPACN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2c(Cl)c(C)nn2C)no1
InChIInChI=1S/C11H16ClN5O/c1-7-11(12)9(17(3)15-7)6-13-5-4-10-14-8(2)18-16-10/h13H,4-6H2,1-3H3
InChIKeyOVXKYFNNUJMKFN-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.41
Rot. Bonds5

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

N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 114186077) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID114186077
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2c(Cl)c(C)nn2C)no1
InChIInChI=1S/C11H16ClN5O/c1-7-11(12)9(17(3)15-7)6-13-5-4-10-14-8(2)18-16-10/h13H,4-6H2,1-3H3
InChIKeyOVXKYFNNUJMKFN-UHFFFAOYSA-N
XLogP1.41
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-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

2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72149503
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)acetamide
CID 91776551
1-(4-chloro-3-methyl-1H-pyrazol-5-yl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylmethanamine
CID 77089507
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 100632564
2-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-1H-1,2,4-triazol-5-yl]acetamide
CID 131911715
1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 118171275
[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559996
3-[5-[[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 167774848
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{ethyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino}acetamide
CID 50956343
3-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5-methyl-1,2,4-oxadiazole
CID 89032462
3-(4-Chloro-1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole
CID 89147275
1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-amine
CID 145209034

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 114186077) is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is Cc1nc(CCNCc2c(Cl)c(C)nn2C)no1.
What is the InChIKey of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is OVXKYFNNUJMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-7-11(12)9(17(3)15-7)6-13-5-4-10-14-8(2)18-16-10/h13H,4-6H2,1-3H3.
What are the key properties of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 269.74 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 114186077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).