5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C17H14N4O2 — CID 29153480

IUPAC5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(Cn2ncc3ccccc32)n1
InChIInChI=1S/C17H14N4O2/c1-22-15-9-5-3-7-13(15)17-19-16(23-20-17)11-21-14-8-4-2-6-12(14)10-18-21/h2-10H,11H2,1H3
InChIKeySHGOOARYNLKKOL-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.14
Rot. Bonds4

About 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 29153480) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID29153480
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(Cn2ncc3ccccc32)n1
InChIInChI=1S/C17H14N4O2/c1-22-15-9-5-3-7-13(15)17-19-16(23-20-17)11-21-14-8-4-2-6-12(14)10-18-21/h2-10H,11H2,1H3
InChIKeySHGOOARYNLKKOL-UHFFFAOYSA-N
XLogP3.14
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole 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

4,5,6,7-tetrachloro-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 43018907
3-(2-methoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25355481
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 17446085
4-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 51129189
5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559629
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 47009329
3-(2-methoxyphenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728604
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 33020173
4-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1,4-benzoxazin-3-one
CID 53101118

Frequently Asked Questions

What is the IUPAC name of 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 29153480) is 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(Cn2ncc3ccccc32)n1.
What is the InChIKey of 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is SHGOOARYNLKKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-22-15-9-5-3-7-13(15)17-19-16(23-20-17)11-21-14-8-4-2-6-12(14)10-18-21/h2-10H,11H2,1H3.
What are the key properties of 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 306.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 29153480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).