2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C21H24N6O5 — CID 10983044

IUPAC2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1cc(C2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CN=[N+]=[N-])cc(OC)c1OC
InChIInChI=1S/C21H24N6O5/c1-26(2)15-8-6-13(7-9-15)20-24-27(18(28)12-23-25-22)21(32-20)14-10-16(29-3)19(31-5)17(11-14)30-4/h6-11,21H,12H2,1-5H3
InChIKeyATLVETIUCNNJGX-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.31
Rot. Bonds8

About 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 10983044) has the molecular formula C21H24N6O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID10983044
Molecular FormulaC21H24N6O5
Molecular Weight440.46 g/mol
Exact Mass440.18
IUPAC Name2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1cc(C2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CN=[N+]=[N-])cc(OC)c1OC
InChIInChI=1S/C21H24N6O5/c1-26(2)15-8-6-13(7-9-15)20-24-27(18(28)12-23-25-22)21(32-20)14-10-16(29-3)19(31-5)17(11-14)30-4/h6-11,21H,12H2,1-5H3
InChIKeyATLVETIUCNNJGX-UHFFFAOYSA-N
XLogP3.31
TPSA121.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 10983044) is 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is COc1cc(C2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CN=[N+]=[N-])cc(OC)c1OC.
What is the InChIKey of 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is ATLVETIUCNNJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5/c1-26(2)15-8-6-13(7-9-15)20-24-27(18(28)12-23-25-22)21(32-20)14-10-16(29-3)19(31-5)17(11-14)30-4/h6-11,21H,12H2,1-5H3.
What are the key properties of 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 440.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-[5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 10983044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).