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

C24H20N6O2 — CID 134811863

IUPACN-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1ccccc1-n1cc(CNc2ccccc2-c2nnc(-c3ccccc3)o2)nn1
InChIInChI=1S/C24H20N6O2/c1-31-22-14-8-7-13-21(22)30-16-18(26-29-30)15-25-20-12-6-5-11-19(20)24-28-27-23(32-24)17-9-3-2-4-10-17/h2-14,16,25H,15H2,1H3
InChIKeyKOQLRQDCMWXJCB-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.61
Rot. Bonds7

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

N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 134811863) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID134811863
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC NameN-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCOc1ccccc1-n1cc(CNc2ccccc2-c2nnc(-c3ccccc3)o2)nn1
InChIInChI=1S/C24H20N6O2/c1-31-22-14-8-7-13-21(22)30-16-18(26-29-30)15-25-20-12-6-5-11-19(20)24-28-27-23(32-24)17-9-3-2-4-10-17/h2-14,16,25H,15H2,1H3
InChIKeyKOQLRQDCMWXJCB-UHFFFAOYSA-N
XLogP4.61
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (CID 134811863) is N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is COc1ccccc1-n1cc(CNc2ccccc2-c2nnc(-c3ccccc3)o2)nn1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is KOQLRQDCMWXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-31-22-14-8-7-13-21(22)30-16-18(26-29-30)15-25-20-12-6-5-11-19(20)24-28-27-23(32-24)17-9-3-2-4-10-17/h2-14,16,25H,15H2,1H3.
What are the key properties of N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 424.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 134811863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).