5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine

C16H24N4O — CID 107501897

IUPAC5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
SMILESCc1cc(-c2noc(CCC(C)(C)CCN)n2)cc(C)n1
InChIInChI=1S/C16H24N4O/c1-11-9-13(10-12(2)18-11)15-19-14(21-20-15)5-6-16(3,4)7-8-17/h9-10H,5-8,17H2,1-4H3
InChIKeyHBXDRESDWSWINU-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.06
Rot. Bonds6

About 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine

5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine (PubChem CID 107501897) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
PubChem CID107501897
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
SMILESCc1cc(-c2noc(CCC(C)(C)CCN)n2)cc(C)n1
InChIInChI=1S/C16H24N4O/c1-11-9-13(10-12(2)18-11)15-19-14(21-20-15)5-6-16(3,4)7-8-17/h9-10H,5-8,17H2,1-4H3
InChIKeyHBXDRESDWSWINU-UHFFFAOYSA-N
XLogP3.06
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine with MolForge

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Related Compounds

5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65285630
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65286120
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 107502143
N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 107502081
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107504595
[3-(3,4,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309504
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 62047775
1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 107502112
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 114329248
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 107504626
3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329360
3,3-dimethyl-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65284905

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine (CID 107501897) is 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine is Cc1cc(-c2noc(CCC(C)(C)CCN)n2)cc(C)n1.
What is the InChIKey of 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine?
The InChIKey is HBXDRESDWSWINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-9-13(10-12(2)18-11)15-19-14(21-20-15)5-6-16(3,4)7-8-17/h9-10H,5-8,17H2,1-4H3.
What are the key properties of 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine?
5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 107501897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).