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

C13H21N3O — CID 14801698

IUPAC3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
SMILESCCCCc1noc(C2=CCC(C)N(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-4-5-6-12-14-13(17-15-12)11-8-7-10(2)16(3)9-11/h8,10H,4-7,9H2,1-3H3
InChIKeyWNRAOSAOOYURKP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds4

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

3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 14801698) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
PubChem CID14801698
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
SMILESCCCCc1noc(C2=CCC(C)N(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-4-5-6-12-14-13(17-15-12)11-8-7-10(2)16(3)9-11/h8,10H,4-7,9H2,1-3H3
InChIKeyWNRAOSAOOYURKP-UHFFFAOYSA-N
XLogP2.52
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole (CID 14801698) is 3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole is CCCCc1noc(C2=CCC(C)N(C)C2)n1.
What is the InChIKey of 3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is WNRAOSAOOYURKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-5-6-12-14-13(17-15-12)11-8-7-10(2)16(3)9-11/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14801698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).