N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide

C15H18F2N4O2 — CID 71997967

IUPACN-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide
SMILESCCCCc1nc(CNc2cc(NC(C)=O)c(F)cc2F)no1
InChIInChI=1S/C15H18F2N4O2/c1-3-4-5-15-20-14(21-23-15)8-18-12-7-13(19-9(2)22)11(17)6-10(12)16/h6-7,18H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyCEJOEGIPGAIFDD-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.26
Rot. Bonds7

About N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide

N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide (PubChem CID 71997967) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide
PubChem CID71997967
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC NameN-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide
SMILESCCCCc1nc(CNc2cc(NC(C)=O)c(F)cc2F)no1
InChIInChI=1S/C15H18F2N4O2/c1-3-4-5-15-20-14(21-23-15)8-18-12-7-13(19-9(2)22)11(17)6-10(12)16/h6-7,18H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyCEJOEGIPGAIFDD-UHFFFAOYSA-N
XLogP3.26
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide?
The IUPAC name of N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide (CID 71997967) is N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide?
The canonical SMILES for N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide is CCCCc1nc(CNc2cc(NC(C)=O)c(F)cc2F)no1.
What is the InChIKey of N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide?
The InChIKey is CEJOEGIPGAIFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-3-4-5-15-20-14(21-23-15)8-18-12-7-13(19-9(2)22)11(17)6-10(12)16/h6-7,18H,3-5,8H2,1-2H3,(H,19,22).
What are the key properties of N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide?
N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide has a molecular weight of 324.33 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-2,4-difluorophenyl]acetamide is sourced from PubChem (CID 71997967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).