3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole

C17H20FN3O — CID 154782809

IUPAC3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1ccc(F)cc1C1(c2noc([C@@]3(C)CCCN3)n2)CC1
InChIInChI=1S/C17H20FN3O/c1-11-4-5-12(18)10-13(11)17(7-8-17)14-20-15(22-21-14)16(2)6-3-9-19-16/h4-5,10,19H,3,6-9H2,1-2H3/t16-/m1/s1
InChIKeyOUZDWEISISOHPO-MRXNPFEDSA-N
MW301.37 g/mol
LogP3.20
Rot. Bonds3

About 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole

3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 154782809) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID154782809
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1ccc(F)cc1C1(c2noc([C@@]3(C)CCCN3)n2)CC1
InChIInChI=1S/C17H20FN3O/c1-11-4-5-12(18)10-13(11)17(7-8-17)14-20-15(22-21-14)16(2)6-3-9-19-16/h4-5,10,19H,3,6-9H2,1-2H3/t16-/m1/s1
InChIKeyOUZDWEISISOHPO-MRXNPFEDSA-N
XLogP3.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 172908876
3-(3,4-dichlorophenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 81491739
3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 104880852
3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597623
6-fluoro-2-methyl-4-(2-methylpyrrolidin-2-yl)quinoline
CID 82664652
3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116743183
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107922430
5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 167956015
3-(2-bromo-3,4-difluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107537223
3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116741448
4-(5-fluoro-2-methylphenyl)azepan-4-ol
CID 103982874

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole (CID 154782809) is 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1ccc(F)cc1C1(c2noc([C@@]3(C)CCCN3)n2)CC1.
What is the InChIKey of 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is OUZDWEISISOHPO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-4-5-12(18)10-13(11)17(7-8-17)14-20-15(22-21-14)16(2)6-3-9-19-16/h4-5,10,19H,3,6-9H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 301.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 154782809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).