5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole

C16H21N5O — CID 56713734

IUPAC5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccnc(N3CCC4(CCNCC4)C3)c2)n1
InChIInChI=1S/C16H21N5O/c1-12-19-15(22-20-12)13-2-6-18-14(10-13)21-9-5-16(11-21)3-7-17-8-4-16/h2,6,10,17H,3-5,7-9,11H2,1H3
InChIKeyMIQDDZNKKCXFOU-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.02
Rot. Bonds2

About 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole

5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 56713734) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
PubChem CID56713734
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccnc(N3CCC4(CCNCC4)C3)c2)n1
InChIInChI=1S/C16H21N5O/c1-12-19-15(22-20-12)13-2-6-18-14(10-13)21-9-5-16(11-21)3-7-17-8-4-16/h2,6,10,17H,3-5,7-9,11H2,1H3
InChIKeyMIQDDZNKKCXFOU-UHFFFAOYSA-N
XLogP2.02
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-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

(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164688984
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole
CID 56686520
(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
CID 97216279
2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol
CID 46985548
5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 166288472
(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
CID 170131044
3-methyl-5-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 166213956
N-(3,5-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 133362349
N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 169413534
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-morpholin-4-ylmethanone
CID 53178647

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole (CID 56713734) is 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccnc(N3CCC4(CCNCC4)C3)c2)n1.
What is the InChIKey of 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is MIQDDZNKKCXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-19-15(22-20-12)13-2-6-18-14(10-13)21-9-5-16(11-21)3-7-17-8-4-16/h2,6,10,17H,3-5,7-9,11H2,1H3.
What are the key properties of 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole?
5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 299.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 56713734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).