cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine

C12H14N4O2 — CID 62874824

IUPACcyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ncccc1-c1nc(C(N)C2CC2)no1
InChIInChI=1S/C12H14N4O2/c1-17-11-8(3-2-6-14-11)12-15-10(16-18-12)9(13)7-4-5-7/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyFKMZXVMHDOKXBI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.55
Rot. Bonds4

About cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine

cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 62874824) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID62874824
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namecyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ncccc1-c1nc(C(N)C2CC2)no1
InChIInChI=1S/C12H14N4O2/c1-17-11-8(3-2-6-14-11)12-15-10(16-18-12)9(13)7-4-5-7/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyFKMZXVMHDOKXBI-UHFFFAOYSA-N
XLogP1.55
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Benzyl-5-(2-piperidin-4-yloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 89615824
3-(2-Methoxy-6-methylpyridin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 913807
2-Ethoxy-6-methyl-3-[5-(3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 913895
3-(2-Methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 666273
3-(3-Methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 666412
US11433053, Example 129
CID 148050654
N-(3-imidazol-1-ylpropyl)-2,6-dimethoxypyridine-3-carboxamide
CID 44776032
(2-Methoxypyridin-3-yl)(3-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)methanone
CID 49743971
(3-Imidazol-1-ylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 53610646
(2-Methoxy-3-pyridinyl)-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53613251
2-Methoxy-3-{3-[(1-propylpiperidin-4-YL)methyl]-1,2,4-oxadiazol-5-YL}pyridine
CID 56712399
2-methoxy-N-methyl-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}nicotinamide
CID 70785221

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 62874824) is cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine is COc1ncccc1-c1nc(C(N)C2CC2)no1.
What is the InChIKey of cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is FKMZXVMHDOKXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-17-11-8(3-2-6-14-11)12-15-10(16-18-12)9(13)7-4-5-7/h2-3,6-7,9H,4-5,13H2,1H3.
What are the key properties of cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 246.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 62874824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).