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

C18H18FN3O2 — CID 86766163

IUPACN-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1
InChIInChI=1S/C18H18FN3O2/c1-3-16(23-15-10-4-12(2)5-11-15)17-21-22-18(24-17)20-14-8-6-13(19)7-9-14/h4-11,16H,3H2,1-2H3,(H,20,22)
InChIKeyQQICFCDBBYSYCV-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.79
Rot. Bonds6

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

N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86766163) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine
PubChem CID86766163
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1
InChIInChI=1S/C18H18FN3O2/c1-3-16(23-15-10-4-12(2)5-11-15)17-21-22-18(24-17)20-14-8-6-13(19)7-9-14/h4-11,16H,3H2,1-2H3,(H,20,22)
InChIKeyQQICFCDBBYSYCV-UHFFFAOYSA-N
XLogP4.79
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine (CID 86766163) is N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine is CCC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1.
What is the InChIKey of N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QQICFCDBBYSYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-3-16(23-15-10-4-12(2)5-11-15)17-21-22-18(24-17)20-14-8-6-13(19)7-9-14/h4-11,16H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine?
N-(4-fluorophenyl)-5-[1-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 327.36 g/mol, XLogP of 4.79, 6 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)propyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86766163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).