5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine

C11H11FN4O — CID 176623809

IUPAC5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine
SMILESCc1ncc(-c2noc([C@H]3C[C@@H]3F)n2)cc1N
InChIInChI=1S/C11H11FN4O/c1-5-9(13)2-6(4-14-5)10-15-11(17-16-10)7-3-8(7)12/h2,4,7-8H,3,13H2,1H3/t7-,8-/m0/s1
InChIKeyJEFWXTCRFRNMAC-YUMQZZPRSA-N
MW234.23 g/mol
LogP1.85
Rot. Bonds2

About 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine

5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine (PubChem CID 176623809) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine
PubChem CID176623809
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine
SMILESCc1ncc(-c2noc([C@H]3C[C@@H]3F)n2)cc1N
InChIInChI=1S/C11H11FN4O/c1-5-9(13)2-6(4-14-5)10-15-11(17-16-10)7-3-8(7)12/h2,4,7-8H,3,13H2,1H3/t7-,8-/m0/s1
InChIKeyJEFWXTCRFRNMAC-YUMQZZPRSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine with MolForge

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Related Compounds

2-(2-aminopyrimidin-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
CID 175682830
3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525244
2-bromo-6-ethoxy-4-[5-[(1R,2R)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 166311965
3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole
CID 136531195
3-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide
CID 174294984
1-[3-fluoro-5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-1-ium-3-carboxamide
CID 170316287
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 175682337
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-pyridin-4-yl-1,3-oxazole-5-carboxamide
CID 175682543
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 175682277
5-[3-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 171795351
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
5-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171796616

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine?
The IUPAC name of 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine (CID 176623809) is 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine.
What is the SMILES notation for 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine?
The canonical SMILES for 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine is Cc1ncc(-c2noc([C@H]3C[C@@H]3F)n2)cc1N.
What is the InChIKey of 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine?
The InChIKey is JEFWXTCRFRNMAC-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-5-9(13)2-6(4-14-5)10-15-11(17-16-10)7-3-8(7)12/h2,4,7-8H,3,13H2,1H3/t7-,8-/m0/s1.
What are the key properties of 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine?
5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine has a molecular weight of 234.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylpyridin-3-amine is sourced from PubChem (CID 176623809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).