N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline

C19H21N3O5 — CID 110653192

IUPACN-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCc2nnc(-c3ccc(OC)c(OC)c3)o2)c1
InChIInChI=1S/C19H21N3O5/c1-23-13-6-8-15(24-2)14(10-13)20-11-18-21-22-19(27-18)12-5-7-16(25-3)17(9-12)26-4/h5-10,20H,11H2,1-4H3
InChIKeyUGEGKXZWYPMPLN-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.38
Rot. Bonds8

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

N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline (PubChem CID 110653192) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline
PubChem CID110653192
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCc2nnc(-c3ccc(OC)c(OC)c3)o2)c1
InChIInChI=1S/C19H21N3O5/c1-23-13-6-8-15(24-2)14(10-13)20-11-18-21-22-19(27-18)12-5-7-16(25-3)17(9-12)26-4/h5-10,20H,11H2,1-4H3
InChIKeyUGEGKXZWYPMPLN-UHFFFAOYSA-N
XLogP3.38
TPSA87.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline (CID 110653192) is N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NCc2nnc(-c3ccc(OC)c(OC)c3)o2)c1.
What is the InChIKey of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline?
The InChIKey is UGEGKXZWYPMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-23-13-6-8-15(24-2)14(10-13)20-11-18-21-22-19(27-18)12-5-7-16(25-3)17(9-12)26-4/h5-10,20H,11H2,1-4H3.
What are the key properties of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline?
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline has a molecular weight of 371.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 110653192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).