2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole

C16H13FN2O2 — CID 671988

IUPAC2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1cccc(OCc2nnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H13FN2O2/c1-11-3-2-4-14(9-11)20-10-15-18-19-16(21-15)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3
InChIKeyFRAINVGBBRCWPC-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 671988) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID671988
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1cccc(OCc2nnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H13FN2O2/c1-11-3-2-4-14(9-11)20-10-15-18-19-16(21-15)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3
InChIKeyFRAINVGBBRCWPC-UHFFFAOYSA-N
XLogP3.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
2-(4-Methoxybenzyl)-5-phenyl-1,3,4-oxadiazole
CID 13004922
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 2108229
[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
CID 6460267
2-[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 712390
2-(3,4-Dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 755411
2-(4-Ethoxy-phenyl)-5-phenyl-[1,3,4]oxadiazole
CID 865999
2-(2-Furyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 1224746
2-(4-Fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 834024
2-[(4-Chloro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 17178068
Ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate
CID 647355

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole (CID 671988) is 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole is Cc1cccc(OCc2nnc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is FRAINVGBBRCWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-11-3-2-4-14(9-11)20-10-15-18-19-16(21-15)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 284.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 671988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).