5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

C20H20F3N7O4 — CID 168909172

About 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 168909172) has the molecular formula C20H20F3N7O4 and a molecular weight of 479.42 g/mol. Its IUPAC name is 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 168909172
• Molecular Formula: C20H20F3N7O4
• Molecular Weight: 479.42 g/mol
• Exact Mass: 479.15
• IUPAC Name: 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
• SMILES: O=C(N[C@H]1CN[C@H](Cn2ccnn2)C1)c1nnc(-c2cccc(OC(F)(F)F)c2OC2CC2)o1
• InChI: InChI=1S/C20H20F3N7O4/c21-20(22,23)34-15-3-1-2-14(16(15)32-13-4-5-13)18-27-28-19(33-18)17(31)26-11-8-12(24-9-11)10-30-7-6-25-29-30/h1-3,6-7,11-13,24H,4-5,8-10H2,(H,26,31)/t11-,12+/m1/s1
• InChIKey: NTVJTDSANFJCPW-NEPJUHHUSA-N
• XLogP: 1.93
• TPSA: 129.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.42
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (CID 168909172) is 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is O=C(N[C@H]1CN[C@H](Cn2ccnn2)C1)c1nnc(-c2cccc(OC(F)(F)F)c2OC2CC2)o1.

What is the InChIKey of 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is NTVJTDSANFJCPW-NEPJUHHUSA-N. The full InChI is InChI=1S/C20H20F3N7O4/c21-20(22,23)34-15-3-1-2-14(16(15)32-13-4-5-13)18-27-28-19(33-18)17(31)26-11-8-12(24-9-11)10-30-7-6-25-29-30/h1-3,6-7,11-13,24H,4-5,8-10H2,(H,26,31)/t11-,12+/m1/s1.

What are the key properties of 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?

5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-cyclopropyloxy-3-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 168909172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).