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

C19H15FN2O3 — CID 119032628

IUPACmethyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2noc(C3CC3c3ccccc3F)n2)cc1
InChIInChI=1S/C19H15FN2O3/c1-24-19(23)12-8-6-11(7-9-12)17-21-18(25-22-17)15-10-14(15)13-4-2-3-5-16(13)20/h2-9,14-15H,10H2,1H3
InChIKeyNNIOISSHHZZPHE-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.93
Rot. Bonds4

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

methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate (PubChem CID 119032628) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate
PubChem CID119032628
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Namemethyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2noc(C3CC3c3ccccc3F)n2)cc1
InChIInChI=1S/C19H15FN2O3/c1-24-19(23)12-8-6-11(7-9-12)17-21-18(25-22-17)15-10-14(15)13-4-2-3-5-16(13)20/h2-9,14-15H,10H2,1H3
InChIKeyNNIOISSHHZZPHE-UHFFFAOYSA-N
XLogP3.93
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
methyl 3-[5-[(1R,2S)-2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 99847137
methyl 4-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841376
methyl 4-[4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]benzoate
CID 46115400
methyl 4-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841404
methyl 4-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841379
methyl 4-[5-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 26319599
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
4-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 78953395
methyl 4-[5-[[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 133135115
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
methyl 4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 75456998

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate?
The IUPAC name of methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate (CID 119032628) is methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate?
The canonical SMILES for methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate is COC(=O)c1ccc(-c2noc(C3CC3c3ccccc3F)n2)cc1.
What is the InChIKey of methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate?
The InChIKey is NNIOISSHHZZPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-24-19(23)12-8-6-11(7-9-12)17-21-18(25-22-17)15-10-14(15)13-4-2-3-5-16(13)20/h2-9,14-15H,10H2,1H3.
What are the key properties of methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate?
methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate has a molecular weight of 338.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate is sourced from PubChem (CID 119032628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).