N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine

C17H16FN3O2 — CID 86766153

IUPACN-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(OC(C)c2nnc(Nc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H16FN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)
InChIKeyVDNOSFFNBJQPOO-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.40
Rot. Bonds5

About N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine

N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86766153) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID86766153
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(OC(C)c2nnc(Nc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C17H16FN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21)
InChIKeyVDNOSFFNBJQPOO-UHFFFAOYSA-N
XLogP4.40
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3,4-dichlorophenoxy)ethyl)-1,3,4-oxadiazole (3i)
CID 86766152
2-(4-Methylphenyl)amino-5-(1-(4-methylphenoxy)ethyl)-1,3,4-oxadiazole (3c)
CID 86766146
(E)-N-[[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]-8-methylnon-6-enamide
CID 155812047
Acetamide, N-(4-((5-(phenylamino)-1,3,4-oxadiazol-2-yl)methoxy)phenyl)-
CID 3073650
Acetamide, N-(4-((5-((4-methylphenyl)amino)-1,3,4-oxadiazol-2-yl)methoxy)phenyl)-
CID 3073651
1,3,4-Oxadiazol-2-amine, 5-(((1,1'-biphenyl)-4-yloxy)methyl)-N-(2-methylphenyl)-
CID 3079556
1,3,4-Oxadiazol-2-amine, 5-(((1,1'-biphenyl)-4-yloxy)methyl)-N-(3-methylphenyl)-
CID 3079557
1,3,4-Oxadiazol-2-amine, 5-(((1,1'-biphenyl)-4-yloxy)methyl)-N-(4-methylphenyl)-
CID 3079558

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine (CID 86766153) is N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(OC(C)c2nnc(Nc3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VDNOSFFNBJQPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-3-9-15(10-4-11)22-12(2)16-20-21-17(23-16)19-14-7-5-13(18)6-8-14/h3-10,12H,1-2H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine?
N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 313.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86766153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).