N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

C24H20N6O — CID 134811851

IUPACN-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESc1ccc(Cn2cc(CNc3ccccc3-c3nnc(-c4ccccc4)o3)nn2)cc1
InChIInChI=1S/C24H20N6O/c1-3-9-18(10-4-1)16-30-17-20(26-29-30)15-25-22-14-8-7-13-21(22)24-28-27-23(31-24)19-11-5-2-6-12-19/h1-14,17,25H,15-16H2
InChIKeyRKSKPXXRJMLZOA-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.66
Rot. Bonds7

About N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 134811851) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID134811851
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESc1ccc(Cn2cc(CNc3ccccc3-c3nnc(-c4ccccc4)o3)nn2)cc1
InChIInChI=1S/C24H20N6O/c1-3-9-18(10-4-1)16-30-17-20(26-29-30)15-25-22-14-8-7-13-21(22)24-28-27-23(31-24)19-11-5-2-6-12-19/h1-14,17,25H,15-16H2
InChIKeyRKSKPXXRJMLZOA-UHFFFAOYSA-N
XLogP4.66
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(bromomethyl)triazol-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 55071823
1,4-dibenzyltriazole
CID 56663361
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
2-[(1-benzyltriazol-4-yl)methylamino]acetic acid
CID 102473436
4-(bromomethyl)-1-[(4-phenylphenyl)methyl]triazole
CID 62399723
1-[(1-benzyltriazol-4-yl)methyl]-3-(2-oxopropyl)urea
CID 90805878
N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide
CID 102109798
2-(2-bromophenyl)-5-[[4-(chloromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole
CID 62399332
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
3-[(1-benzyltriazol-4-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazol-2-one
CID 155547405

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (CID 134811851) is N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is c1ccc(Cn2cc(CNc3ccccc3-c3nnc(-c4ccccc4)o3)nn2)cc1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is RKSKPXXRJMLZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-3-9-18(10-4-1)16-30-17-20(26-29-30)15-25-22-14-8-7-13-21(22)24-28-27-23(31-24)19-11-5-2-6-12-19/h1-14,17,25H,15-16H2.
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 408.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 134811851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).