2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide

About 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide

2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide (PubChem CID 155234235) has the molecular formula C19H20ClF5N4O5 and a molecular weight of 514.84 g/mol. Its IUPAC name is 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name	2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
PubChem CID	155234235
Molecular Formula	C19H20ClF5N4O5
Molecular Weight	514.84 g/mol
Exact Mass	514.10
IUPAC Name	2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
SMILES	O=C(COc1ccc(C(F)F)c(Cl)c1)N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1
InChI	InChI=1S/C19H20ClF5N4O5/c20-13-7-11(2-3-12(13)16(21)22)32-9-15(30)27-10-1-4-14(26-8-10)17-28-29-18(34-17)31-5-6-33-19(23,24)25/h2-3,7,10,14,16,26H,1,4-6,8-9H2,(H,27,30)/t10-,14+/m0/s1
InChIKey	ROQYVPFPMILBBR-IINYFYTJSA-N
XLogP	3.56
TPSA	107.74 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.84
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

The IUPAC name of 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide (CID 155234235) is 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide.

What is the SMILES notation for 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

The canonical SMILES for 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide is O=C(COc1ccc(C(F)F)c(Cl)c1)N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1.

What is the InChIKey of 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

The InChIKey is ROQYVPFPMILBBR-IINYFYTJSA-N. The full InChI is InChI=1S/C19H20ClF5N4O5/c20-13-7-11(2-3-12(13)16(21)22)32-9-15(30)27-10-1-4-14(26-8-10)17-28-29-18(34-17)31-5-6-33-19(23,24)25/h2-3,7,10,14,16,26H,1,4-6,8-9H2,(H,27,30)/t10-,14+/m0/s1.

What are the key properties of 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide has a molecular weight of 514.84 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 155234235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).