3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

C16H16N4O — CID 14810834

IUPAC3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3=CCCNC3)n2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-20-10-13(12-6-2-3-7-14(12)20)15-18-16(21-19-15)11-5-4-8-17-9-11/h2-3,5-7,10,17H,4,8-9H2,1H3
InChIKeyOICMLBPTTKNLQN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.61
Rot. Bonds2

About 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 14810834) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID14810834
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3=CCCNC3)n2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-20-10-13(12-6-2-3-7-14(12)20)15-18-16(21-19-15)11-5-4-8-17-9-11/h2-3,5-7,10,17H,4,8-9H2,1H3
InChIKeyOICMLBPTTKNLQN-UHFFFAOYSA-N
XLogP2.61
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Quisinostat
CID 11538455
Quisinostat Hydrochloride
CID 25067557
Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
3-(1-Methyl-1H-indol-3-ylmethylene)-1,3-dihydro-pyrrolo[2,3-b]pyridin-2-one
CID 9943464
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10107953
5-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine
CID 10380005
N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10401626
2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 10452058
2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine
CID 11725183

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 14810834) is 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C3=CCCNC3)n2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is OICMLBPTTKNLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-10-13(12-6-2-3-7-14(12)20)15-18-16(21-19-15)11-5-4-8-17-9-11/h2-3,5-7,10,17H,4,8-9H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 280.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).