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

C10H15N3O — CID 14898792

IUPAC5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2=CC(C)CN(C)C2)n1
InChIInChI=1S/C10H15N3O/c1-7-4-9(6-13(3)5-7)10-11-8(2)12-14-10/h4,7H,5-6H2,1-3H3
InChIKeyDTXVMUOPNNKINB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.34
Rot. Bonds1

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

5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 14898792) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID14898792
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2=CC(C)CN(C)C2)n1
InChIInChI=1S/C10H15N3O/c1-7-4-9(6-13(3)5-7)10-11-8(2)12-14-10/h4,7H,5-6H2,1-3H3
InChIKeyDTXVMUOPNNKINB-UHFFFAOYSA-N
XLogP1.34
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole (CID 14898792) is 5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2=CC(C)CN(C)C2)n1.
What is the InChIKey of 5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is DTXVMUOPNNKINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-4-9(6-13(3)5-7)10-11-8(2)12-14-10/h4,7H,5-6H2,1-3H3.
What are the key properties of 5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole?
5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 193.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 14898792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).