3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine

C13H18N4O — CID 107504477

IUPAC3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCc1cc(-c2noc(NCC(C)C)n2)cc(C)n1
InChIInChI=1S/C13H18N4O/c1-8(2)7-14-13-16-12(17-18-13)11-5-9(3)15-10(4)6-11/h5-6,8H,7H2,1-4H3,(H,14,16,17)
InChIKeyHAPHQMPAECCMEL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.82
Rot. Bonds4

About 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine

3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 107504477) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID107504477
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCc1cc(-c2noc(NCC(C)C)n2)cc(C)n1
InChIInChI=1S/C13H18N4O/c1-8(2)7-14-13-16-12(17-18-13)11-5-9(3)15-10(4)6-11/h5-6,8H,7H2,1-4H3,(H,14,16,17)
InChIKeyHAPHQMPAECCMEL-UHFFFAOYSA-N
XLogP2.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 55096436
N-(2-methylpropyl)-3-(3-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62595787
N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine
CID 114755467
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 121222906
N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 107502081
3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 63950701
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 107504612
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 107504642
(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107501935
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 107502143
3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
CID 25197008
4-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107502115

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (CID 107504477) is 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is Cc1cc(-c2noc(NCC(C)C)n2)cc(C)n1.
What is the InChIKey of 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is HAPHQMPAECCMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)7-14-13-16-12(17-18-13)11-5-9(3)15-10(4)6-11/h5-6,8H,7H2,1-4H3,(H,14,16,17).
What are the key properties of 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 107504477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).