5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole

C8H11N3O — CID 67937360

IUPAC5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole
SMILESCc1onnc1C1CCCC=N1
InChIInChI=1S/C8H11N3O/c1-6-8(10-11-12-6)7-4-2-3-5-9-7/h5,7H,2-4H2,1H3
InChIKeyJPLDONOXTGTTIB-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.67
Rot. Bonds1

About 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole

5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole (PubChem CID 67937360) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole.

Molecular Properties

Compound Name5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole
PubChem CID67937360
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole
SMILESCc1onnc1C1CCCC=N1
InChIInChI=1S/C8H11N3O/c1-6-8(10-11-12-6)7-4-2-3-5-9-7/h5,7H,2-4H2,1H3
InChIKeyJPLDONOXTGTTIB-UHFFFAOYSA-N
XLogP1.67
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-2,3,4,5-tetrahydropyridine
CID 59499364
2-(1-benzofuran-2-yl)-2,3,4,5-tetrahydropyridine
CID 70570893
1,2,4a,5,6,7-hexahydroquinoxaline
CID 151446784
1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 91747724
2-propyl-2,3,4,5-tetrahydropyridine
CID 58247728
2,3-dimethylcyclohept-3-en-1-amine
CID 146285592
ethane;methane;2-methyl-3,4,5,6-tetrahydro-2H-azepine
CID 156845706
1-(5-methyloxadiazol-4-yl)propan-2-one
CID 84648492
4,5,6,7-tetrahydrodiazocine
CID 91529260
2-pyrrolidin-1-yl-2,3,4,5-tetrahydropyridine
CID 19865901
1,6,7-trimethylcycloheptene
CID 91039124
(3aR,9aR)-3-methyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,2]oxazole
CID 92843715

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole?
The IUPAC name of 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole (CID 67937360) is 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole.
What is the SMILES notation for 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole?
The canonical SMILES for 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole is Cc1onnc1C1CCCC=N1.
What is the InChIKey of 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole?
The InChIKey is JPLDONOXTGTTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-8(10-11-12-6)7-4-2-3-5-9-7/h5,7H,2-4H2,1H3.
What are the key properties of 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole?
5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole has a molecular weight of 165.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,3,4,5-tetrahydropyridin-2-yl)oxadiazole is sourced from PubChem (CID 67937360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).