1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine

C11H11FN4O — CID 169262806

IUPAC1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
SMILESCc1nccc(-c2nc(C3(N)CC3)no2)c1F
InChIInChI=1S/C11H11FN4O/c1-6-8(12)7(2-5-14-6)9-15-10(16-17-9)11(13)3-4-11/h2,5H,3-4,13H2,1H3
InChIKeyBLNKXSAIOFEFQV-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.53
Rot. Bonds2

About 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine

1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine (PubChem CID 169262806) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
PubChem CID169262806
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
SMILESCc1nccc(-c2nc(C3(N)CC3)no2)c1F
InChIInChI=1S/C11H11FN4O/c1-6-8(12)7(2-5-14-6)9-15-10(16-17-9)11(13)3-4-11/h2,5H,3-4,13H2,1H3
InChIKeyBLNKXSAIOFEFQV-UHFFFAOYSA-N
XLogP1.53
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852901
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104672150
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859270
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850939
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 106689441
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
1-[5-[6-(furan-2-yl)-2-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859837
1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851272
1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850187
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine (CID 169262806) is 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine is Cc1nccc(-c2nc(C3(N)CC3)no2)c1F.
What is the InChIKey of 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
The InChIKey is BLNKXSAIOFEFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-6-8(12)7(2-5-14-6)9-15-10(16-17-9)11(13)3-4-11/h2,5H,3-4,13H2,1H3.
What are the key properties of 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine?
1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine has a molecular weight of 234.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 169262806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).