N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide

C20H17F2N5O3 — CID 171587942

IUPACN-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide
SMILESN#Cc1ccc(CN(Cc2nnc(N)o2)C(=O)COc2ccccc2CF)c(F)c1
InChIInChI=1S/C20H17F2N5O3/c21-8-14-3-1-2-4-17(14)29-12-19(28)27(11-18-25-26-20(24)30-18)10-15-6-5-13(9-23)7-16(15)22/h1-7H,8,10-12H2,(H2,24,26)
InChIKeyNCEFWCRJVDNILI-UHFFFAOYSA-N
MW413.38 g/mol
LogP2.74
Rot. Bonds8

About N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide

N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide (PubChem CID 171587942) has the molecular formula C20H17F2N5O3 and a molecular weight of 413.38 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide
PubChem CID171587942
Molecular FormulaC20H17F2N5O3
Molecular Weight413.38 g/mol
Exact Mass413.13
IUPAC NameN-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide
SMILESN#Cc1ccc(CN(Cc2nnc(N)o2)C(=O)COc2ccccc2CF)c(F)c1
InChIInChI=1S/C20H17F2N5O3/c21-8-14-3-1-2-4-17(14)29-12-19(28)27(11-18-25-26-20(24)30-18)10-15-6-5-13(9-23)7-16(15)22/h1-7H,8,10-12H2,(H2,24,26)
InChIKeyNCEFWCRJVDNILI-UHFFFAOYSA-N
XLogP2.74
TPSA118.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide (CID 171587942) is N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide is N#Cc1ccc(CN(Cc2nnc(N)o2)C(=O)COc2ccccc2CF)c(F)c1.
What is the InChIKey of N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide?
The InChIKey is NCEFWCRJVDNILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O3/c21-8-14-3-1-2-4-17(14)29-12-19(28)27(11-18-25-26-20(24)30-18)10-15-6-5-13(9-23)7-16(15)22/h1-7H,8,10-12H2,(H2,24,26).
What are the key properties of N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide?
N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide has a molecular weight of 413.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-cyano-2-fluorophenyl)methyl]-2-[2-(fluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 171587942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).