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

C19H17FN2O4 — CID 55546268

IUPAC1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate
SMILESCc1noc(C(C)OC(=O)c2cccc(OCc3ccc(F)cc3)c2)n1
InChIInChI=1S/C19H17FN2O4/c1-12(18-21-13(2)22-26-18)25-19(23)15-4-3-5-17(10-15)24-11-14-6-8-16(20)9-7-14/h3-10,12H,11H2,1-2H3
InChIKeyMRVIGSTZGCKRJM-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.01
Rot. Bonds6

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

1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate (PubChem CID 55546268) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate
PubChem CID55546268
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate
SMILESCc1noc(C(C)OC(=O)c2cccc(OCc3ccc(F)cc3)c2)n1
InChIInChI=1S/C19H17FN2O4/c1-12(18-21-13(2)22-26-18)25-19(23)15-4-3-5-17(10-15)24-11-14-6-8-16(20)9-7-14/h3-10,12H,11H2,1-2H3
InChIKeyMRVIGSTZGCKRJM-UHFFFAOYSA-N
XLogP4.01
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55913740
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-[(4-fluorophenyl)methoxy]benzoate
CID 46816794
[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 31810495
3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 95787655
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
N-[3-[(4-fluorophenyl)methoxy]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55830314
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
prop-2-ynyl 3-[(4-fluorophenyl)methoxy]benzoate
CID 91681581
[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate
CID 124887375
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55530797
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 40793044
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 52618291

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate?
The IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate (CID 55546268) is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate is Cc1noc(C(C)OC(=O)c2cccc(OCc3ccc(F)cc3)c2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate?
The InChIKey is MRVIGSTZGCKRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-12(18-21-13(2)22-26-18)25-19(23)15-4-3-5-17(10-15)24-11-14-6-8-16(20)9-7-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate?
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate has a molecular weight of 356.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 55546268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).