N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide

C18H16N8O3 — CID 91819290

IUPACN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3cccc(-n4cnnn4)c3)n2)cn1
InChIInChI=1S/C18H16N8O3/c1-2-28-15-7-6-13(9-19-15)17-22-16(29-23-17)10-20-18(27)12-4-3-5-14(8-12)26-11-21-24-25-26/h3-9,11H,2,10H2,1H3,(H,20,27)
InChIKeyKXTKBIFCGFJBTR-UHFFFAOYSA-N
MW392.38 g/mol
LogP1.44
Rot. Bonds7

About N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide

N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 91819290) has the molecular formula C18H16N8O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID91819290
Molecular FormulaC18H16N8O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3cccc(-n4cnnn4)c3)n2)cn1
InChIInChI=1S/C18H16N8O3/c1-2-28-15-7-6-13(9-19-15)17-22-16(29-23-17)10-20-18(27)12-4-3-5-14(8-12)26-11-21-24-25-26/h3-9,11H,2,10H2,1H3,(H,20,27)
InChIKeyKXTKBIFCGFJBTR-UHFFFAOYSA-N
XLogP1.44
TPSA133.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide 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

N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819291
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91819320
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91819293
(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 100759002
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819345
(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
CID 100758962
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide
CID 75389703
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 26911241
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide (CID 91819290) is N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide is CCOc1ccc(-c2noc(CNC(=O)c3cccc(-n4cnnn4)c3)n2)cn1.
What is the InChIKey of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is KXTKBIFCGFJBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O3/c1-2-28-15-7-6-13(9-19-15)17-22-16(29-23-17)10-20-18(27)12-4-3-5-14(8-12)26-11-21-24-25-26/h3-9,11H,2,10H2,1H3,(H,20,27).
What are the key properties of N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide?
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 91819290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).