3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine

C17H24N4O2 — CID 174374740

IUPAC3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine
SMILESCCCCOc1nonc1C1=CCCN(C)C1.c1ccncc1
InChIInChI=1S/C12H19N3O2.C5H5N/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10;1-2-4-6-5-3-1/h6H,3-5,7-9H2,1-2H3;1-5H
InChIKeyBESPFMHFBYSHNC-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.05
Rot. Bonds5

About 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine

3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine (PubChem CID 174374740) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine.

Molecular Properties

Compound Name3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine
PubChem CID174374740
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine
SMILESCCCCOc1nonc1C1=CCCN(C)C1.c1ccncc1
InChIInChI=1S/C12H19N3O2.C5H5N/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10;1-2-4-6-5-3-1/h6H,3-5,7-9H2,1-2H3;1-5H
InChIKeyBESPFMHFBYSHNC-UHFFFAOYSA-N
XLogP3.05
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine 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

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentoxy]-1,2,5-thiadiazole
CID 11734201
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-[3-[3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]propoxy]propoxy]propoxy]-1,2,5-thiadiazole;dihydrochloride
CID 160922700
3-ethoxy-4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;pyridine
CID 174375885
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-pentylsulfanylpyrazine;hydrochloride
CID 19800174
1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol
CID 10424725
2-hexylsulfanyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazine;hydrochloride
CID 19800167
3-hex-3-enoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
CID 54245449
3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole
CID 19075416
3-(2-benzylsulfanylethoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
CID 19612561
3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]propanamide;oxalic acid
CID 67877540
3-heptan-2-yloxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;oxalic acid
CID 19075532
1-ethylsulfanyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-phenyl-1,2,5-thiadiazol-1-ium
CID 172711663

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine?
The IUPAC name of 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine (CID 174374740) is 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine.
What is the SMILES notation for 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine?
The canonical SMILES for 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine is CCCCOc1nonc1C1=CCCN(C)C1.c1ccncc1.
What is the InChIKey of 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine?
The InChIKey is BESPFMHFBYSHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.C5H5N/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10;1-2-4-6-5-3-1/h6H,3-5,7-9H2,1-2H3;1-5H.
What are the key properties of 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine?
3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine has a molecular weight of 316.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole;pyridine is sourced from PubChem (CID 174374740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).