2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole

C18H17FN2O2 — CID 863664

IUPAC2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
SMILESCC(C)COc1ccc(-c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C18H17FN2O2/c1-12(2)11-22-14-9-7-13(8-10-14)17-20-21-18(23-17)15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3
InChIKeySYYBWCJWFFJOFF-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 863664) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
PubChem CID863664
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
SMILESCC(C)COc1ccc(-c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C18H17FN2O2/c1-12(2)11-22-14-9-7-13(8-10-14)17-20-21-18(23-17)15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3
InChIKeySYYBWCJWFFJOFF-UHFFFAOYSA-N
XLogP4.58
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962720
2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 781493
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 83275070
2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 16768252
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpropoxy)benzoate
CID 7194175
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71563552
2-(2-cyclopropylpyrimidin-5-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99962735
2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
CID 29263901

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole (CID 863664) is 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole is CC(C)COc1ccc(-c2nnc(-c3ccccc3F)o2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is SYYBWCJWFFJOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12(2)11-22-14-9-7-13(8-10-14)17-20-21-18(23-17)15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 312.34 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 863664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).