3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole

C15H18FN3O — CID 64759567

IUPAC3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(c1ccc(F)cc1)c1noc(C2CCCN2)n1
InChIInChI=1S/C15H18FN3O/c1-15(2,10-5-7-11(16)8-6-10)14-18-13(20-19-14)12-4-3-9-17-12/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyLTUVPYVLBNOZQP-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.96
Rot. Bonds3

About 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole

3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 64759567) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID64759567
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(c1ccc(F)cc1)c1noc(C2CCCN2)n1
InChIInChI=1S/C15H18FN3O/c1-15(2,10-5-7-11(16)8-6-10)14-18-13(20-19-14)12-4-3-9-17-12/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyLTUVPYVLBNOZQP-UHFFFAOYSA-N
XLogP2.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 63085351
(3S,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812809
(3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912316
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(2-ethoxybutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116740578
3-tert-butyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 69256891
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
4-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83192280
[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 64759373
cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 64759558
3-(3-ethoxypentan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900872
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624437

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 64759567) is 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole is CC(C)(c1ccc(F)cc1)c1noc(C2CCCN2)n1.
What is the InChIKey of 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is LTUVPYVLBNOZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-15(2,10-5-7-11(16)8-6-10)14-18-13(20-19-14)12-4-3-9-17-12/h5-8,12,17H,3-4,9H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 275.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 64759567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).