2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole

C17H12FN5O2 — CID 71868810

IUPAC2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(COc2cccc(-n3cncn3)c2)o1
InChIInChI=1S/C17H12FN5O2/c18-15-7-2-1-6-14(15)17-22-21-16(25-17)9-24-13-5-3-4-12(8-13)23-11-19-10-20-23/h1-8,10-11H,9H2
InChIKeyXKIMHYIDPOQSOX-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole (PubChem CID 71868810) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole
PubChem CID71868810
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(COc2cccc(-n3cncn3)c2)o1
InChIInChI=1S/C17H12FN5O2/c18-15-7-2-1-6-14(15)17-22-21-16(25-17)9-24-13-5-3-4-12(8-13)23-11-19-10-20-23/h1-8,10-11H,9H2
InChIKeyXKIMHYIDPOQSOX-UHFFFAOYSA-N
XLogP3.04
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 7894332
1-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-1,2,4-triazole
CID 166214261
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
2-(5-bromothiophen-2-yl)-5-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole
CID 9354991
2-methyl-4-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 71986343
3-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 71986351
2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole
CID 139801783
3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide
CID 69123933
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
CID 110655686
2-(2-fluorophenyl)-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 53017518
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole (CID 71868810) is 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(COc2cccc(-n3cncn3)c2)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole?
The InChIKey is XKIMHYIDPOQSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-15-7-2-1-6-14(15)17-22-21-16(25-17)9-24-13-5-3-4-12(8-13)23-11-19-10-20-23/h1-8,10-11H,9H2.
What are the key properties of 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole has a molecular weight of 337.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[[3-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71868810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).