2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide

C27H38F2N4O3 — CID 70856331

About 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide

2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide (PubChem CID 70856331) has the molecular formula C27H38F2N4O3 and a molecular weight of 504.62 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide
• PubChem CID: 70856331
• Molecular Formula: C27H38F2N4O3
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.29
• IUPAC Name: 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide
• SMILES: CC(F)CN(C)C(=O)Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3nc(C(C)C)no3)CC2)cc1F
• InChI: InChI=1S/C27H38F2N4O3/c1-17(2)26-30-27(36-31-26)33-10-7-19(8-11-33)23-13-20(23)9-12-35-22-6-5-21(24(29)15-22)14-25(34)32(4)16-18(3)28/h5-6,15,17-20,23H,7-14,16H2,1-4H3/t18?,20-,23-/m1/s1
• InChIKey: RDWHSJHNPHANQT-JSNZXPNTSA-N
• XLogP: 5.01
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide?

The IUPAC name of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide (CID 70856331) is 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide.

What is the SMILES notation for 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide?

The canonical SMILES for 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide is CC(F)CN(C)C(=O)Cc1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3nc(C(C)C)no3)CC2)cc1F.

What is the InChIKey of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide?

The InChIKey is RDWHSJHNPHANQT-JSNZXPNTSA-N. The full InChI is InChI=1S/C27H38F2N4O3/c1-17(2)26-30-27(36-31-26)33-10-7-19(8-11-33)23-13-20(23)9-12-35-22-6-5-21(24(29)15-22)14-25(34)32(4)16-18(3)28/h5-6,15,17-20,23H,7-14,16H2,1-4H3/t18?,20-,23-/m1/s1.

What are the key properties of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide?

2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide has a molecular weight of 504.62 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-N-(2-fluoropropyl)-N-methylacetamide is sourced from PubChem (CID 70856331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).