N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide

C22H18F4N8O4 — CID 162722067

About N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide

N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide (PubChem CID 162722067) has the molecular formula C22H18F4N8O4 and a molecular weight of 534.43 g/mol. Its IUPAC name is N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide
• PubChem CID: 162722067
• Molecular Formula: C22H18F4N8O4
• Molecular Weight: 534.43 g/mol
• Exact Mass: 534.14
• IUPAC Name: N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide
• SMILES: O=C(Nc1cc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)ccc1O)N1CCOCC1
• InChI: InChI=1S/C22H18F4N8O4/c23-14-7-12(20-29-30-21(38-20)18(25)26)8-15(24)13(14)10-34-31-19(28-32-34)11-1-2-17(35)16(9-11)27-22(36)33-3-5-37-6-4-33/h1-2,7-9,18,35H,3-6,10H2,(H,27,36)
• InChIKey: AWOFRWCMKVPNPK-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 144.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.43
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide?

The IUPAC name of N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide (CID 162722067) is N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide?

The canonical SMILES for N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide is O=C(Nc1cc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)ccc1O)N1CCOCC1.

What is the InChIKey of N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide?

The InChIKey is AWOFRWCMKVPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N8O4/c23-14-7-12(20-29-30-21(38-20)18(25)26)8-15(24)13(14)10-34-31-19(28-32-34)11-1-2-17(35)16(9-11)27-22(36)33-3-5-37-6-4-33/h1-2,7-9,18,35H,3-6,10H2,(H,27,36).

What are the key properties of N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide?

N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide has a molecular weight of 534.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-hydroxyphenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162722067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).