N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide

C17H16N4O3 — CID 3073650

IUPACN-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nnc(Nc3ccccc3)o2)cc1
InChIInChI=1S/C17H16N4O3/c1-12(22)18-14-7-9-15(10-8-14)23-11-16-20-21-17(24-16)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyNLDOFCLGEQZBNJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.35
Rot. Bonds6

About N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide

N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide (PubChem CID 3073650) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
PubChem CID3073650
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nnc(Nc3ccccc3)o2)cc1
InChIInChI=1S/C17H16N4O3/c1-12(22)18-14-7-9-15(10-8-14)23-11-16-20-21-17(24-16)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyNLDOFCLGEQZBNJ-UHFFFAOYSA-N
XLogP3.35
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Fluorophenyl)amino-5-(1-(4-bromophenoxy)ethyl)-1,3,4-oxadiazole (3g)
CID 86766150
2-(4-Fluorophenyl)amino-5-(1-(4-bromophenoxy)propyl)-1,3,4-oxadiazole (3r)
CID 86766161
2-(4-Fluorophenyl)amino-5-(1-(4-methylphenoxy)propyl)-1,3,4-oxadiazole (3t)
CID 86766163
2-(4-Fluorophenyl)amino-5-(1-(4-chlorophenoxy)ethyl)-1,3,4-oxadiazole (3h)
CID 86766151
2-(4-Fluorophenyl)amino-5-(1-(4-methylphenoxy)ethyl)-1,3,4-oxadiazole (3j)
CID 86766153
2-(4-Methylphenyl)amino-5-(1-(4-methylphenoxy)ethyl)-1,3,4-oxadiazole (3c)
CID 86766146
N-(4-methoxyphenyl)-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-amine
CID 145982627
N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
CID 162670392
N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
CID 162671238
1,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-(4-methoxyphenyl)-
CID 218044
1,3,4-Oxadiazol-2-amine, 5-((2,4-dichlorophenoxy)methyl)-N-phenyl-
CID 3042945
Acetamide, N-(4-((5-((4-methylphenyl)amino)-1,3,4-oxadiazol-2-yl)methoxy)phenyl)-
CID 3073651

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide (CID 3073650) is N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2nnc(Nc3ccccc3)o2)cc1.
What is the InChIKey of N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
The InChIKey is NLDOFCLGEQZBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-12(22)18-14-7-9-15(10-8-14)23-11-16-20-21-17(24-16)19-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 3073650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).