methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate

C17H13FN2O4 — CID 38901917

IUPACmethyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H13FN2O4/c1-22-17(21)12-4-8-14(9-5-12)23-10-15-19-16(24-20-15)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3
InChIKeyMXBRLIABOJVOHB-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.24
Rot. Bonds5

About methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate

methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate (PubChem CID 38901917) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
PubChem CID38901917
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Namemethyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H13FN2O4/c1-22-17(21)12-4-8-14(9-5-12)23-10-15-19-16(24-20-15)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3
InChIKeyMXBRLIABOJVOHB-UHFFFAOYSA-N
XLogP3.24
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 55578098
methyl 4-(3-butyl-1,2,4-oxadiazol-5-yl)benzoate
CID 59913410
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 4-bromobenzoate
CID 35460181
(4-fluorophenyl)-[4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 38906192
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
methyl 4-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 130232626
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate
CID 55999690
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(methylamino)benzoate
CID 55449116
N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
CID 53098271

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate (CID 38901917) is methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The InChIKey is MXBRLIABOJVOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-22-17(21)12-4-8-14(9-5-12)23-10-15-19-16(24-20-15)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3.
What are the key properties of methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate has a molecular weight of 328.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate is sourced from PubChem (CID 38901917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).