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

C14H18N4O — CID 107502112

IUPAC1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1cc(-c2noc(CC(N)C3CC3)n2)cc(C)n1
InChIInChI=1S/C14H18N4O/c1-8-5-11(6-9(2)16-8)14-17-13(19-18-14)7-12(15)10-3-4-10/h5-6,10,12H,3-4,7,15H2,1-2H3
InChIKeyLWNJQUQQEKFQLS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.03
Rot. Bonds4

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

1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 107502112) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID107502112
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1cc(-c2noc(CC(N)C3CC3)n2)cc(C)n1
InChIInChI=1S/C14H18N4O/c1-8-5-11(6-9(2)16-8)14-17-13(19-18-14)7-12(15)10-3-4-10/h5-6,10,12H,3-4,7,15H2,1-2H3
InChIKeyLWNJQUQQEKFQLS-UHFFFAOYSA-N
XLogP2.03
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 107504658
1-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 55200681
1-cyclopropyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55203184
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 107504626
1-cyclopropyl-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65197811
2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine
CID 103084091
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 107504625
1-cyclopropyl-2-[3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352555
1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352306
1-cyclopropyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 136984473
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 63352508
5-(2-amino-2-cyclopropylethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806228

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 107502112) is 1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine is Cc1cc(-c2noc(CC(N)C3CC3)n2)cc(C)n1.
What is the InChIKey of 1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is LWNJQUQQEKFQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-5-11(6-9(2)16-8)14-17-13(19-18-14)7-12(15)10-3-4-10/h5-6,10,12H,3-4,7,15H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 258.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 107502112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).