2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole

C21H26FN3O2 — CID 123716562

IUPAC2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole
SMILESFc1cc(OCC[C@H]2C[C@H]2N2CCCCC2)ccc1-c1nnc(C2CC2)o1
InChIInChI=1S/C21H26FN3O2/c22-18-13-16(6-7-17(18)21-24-23-20(27-21)14-4-5-14)26-11-8-15-12-19(15)25-9-2-1-3-10-25/h6-7,13-15,19H,1-5,8-12H2/t15-,19+/m0/s1
InChIKeyXCLZQIZTJATZPR-HNAYVOBHSA-N
MW371.46 g/mol
LogP4.40
Rot. Bonds7

About 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 123716562) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole
PubChem CID123716562
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole
SMILESFc1cc(OCC[C@H]2C[C@H]2N2CCCCC2)ccc1-c1nnc(C2CC2)o1
InChIInChI=1S/C21H26FN3O2/c22-18-13-16(6-7-17(18)21-24-23-20(27-21)14-4-5-14)26-11-8-15-12-19(15)25-9-2-1-3-10-25/h6-7,13-15,19H,1-5,8-12H2/t15-,19+/m0/s1
InChIKeyXCLZQIZTJATZPR-HNAYVOBHSA-N
XLogP4.40
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole (CID 123716562) is 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole is Fc1cc(OCC[C@H]2C[C@H]2N2CCCCC2)ccc1-c1nnc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is XCLZQIZTJATZPR-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-18-13-16(6-7-17(18)21-24-23-20(27-21)14-4-5-14)26-11-8-15-12-19(15)25-9-2-1-3-10-25/h6-7,13-15,19H,1-5,8-12H2/t15-,19+/m0/s1.
What are the key properties of 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 371.46 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 123716562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).