N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline

C18H24N6O — CID 154740339

IUPACN-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1cn(Cc2noc(C(C)(C)C)n2)nn1
InChIInChI=1S/C18H24N6O/c1-12-7-6-8-13(2)16(12)19-9-14-10-24(23-21-14)11-15-20-17(25-22-15)18(3,4)5/h6-8,10,19H,9,11H2,1-5H3
InChIKeyKLPBIACZPRCROB-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.24
Rot. Bonds5

About N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline

N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline (PubChem CID 154740339) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline
PubChem CID154740339
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1cn(Cc2noc(C(C)(C)C)n2)nn1
InChIInChI=1S/C18H24N6O/c1-12-7-6-8-13(2)16(12)19-9-14-10-24(23-21-14)11-15-20-17(25-22-15)18(3,4)5/h6-8,10,19H,9,11H2,1-5H3
InChIKeyKLPBIACZPRCROB-UHFFFAOYSA-N
XLogP3.24
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline 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-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194073
2-amino-3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116735035
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine
CID 79530367
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193228
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194576
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66194236
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol
CID 62402205
5-tert-butyl-3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 35362430
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66191789
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971888
2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol
CID 62401525
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194508

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline?
The IUPAC name of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline (CID 154740339) is N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline?
The canonical SMILES for N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline is Cc1cccc(C)c1NCc1cn(Cc2noc(C(C)(C)C)n2)nn1.
What is the InChIKey of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline?
The InChIKey is KLPBIACZPRCROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-7-6-8-13(2)16(12)19-9-14-10-24(23-21-14)11-15-20-17(25-22-15)18(3,4)5/h6-8,10,19H,9,11H2,1-5H3.
What are the key properties of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline?
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline has a molecular weight of 340.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline is sourced from PubChem (CID 154740339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).