5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole

C8H8FN5O — CID 167887039

IUPAC5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc([C@@H]3C[C@@H]3F)n2)nn1
InChIInChI=1S/C8H8FN5O/c1-14-3-6(11-13-14)7-10-8(15-12-7)4-2-5(4)9/h3-5H,2H2,1H3/t4-,5+/m1/s1
InChIKeyDBVRYJOSSHPZKH-UHNVWZDZSA-N
MW209.18 g/mol
LogP0.69
Rot. Bonds2

About 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole

5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole (PubChem CID 167887039) has the molecular formula C8H8FN5O and a molecular weight of 209.18 g/mol. Its IUPAC name is 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole
PubChem CID167887039
Molecular FormulaC8H8FN5O
Molecular Weight209.18 g/mol
Exact Mass209.07
IUPAC Name5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc([C@@H]3C[C@@H]3F)n2)nn1
InChIInChI=1S/C8H8FN5O/c1-14-3-6(11-13-14)7-10-8(15-12-7)4-2-5(4)9/h3-5H,2H2,1H3/t4-,5+/m1/s1
InChIKeyDBVRYJOSSHPZKH-UHNVWZDZSA-N
XLogP0.69
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole (CID 167887039) is 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc([C@@H]3C[C@@H]3F)n2)nn1.
What is the InChIKey of 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is DBVRYJOSSHPZKH-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H8FN5O/c1-14-3-6(11-13-14)7-10-8(15-12-7)4-2-5(4)9/h3-5H,2H2,1H3/t4-,5+/m1/s1.
What are the key properties of 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole?
5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 209.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167887039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).