3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C19H25FN4O — CID 95155264

IUPAC3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(C2CC2)no1)N1CCN([C@@H](C)c2ccccc2F)CC1
InChIInChI=1S/C19H25FN4O/c1-13(16-5-3-4-6-17(16)20)23-9-11-24(12-10-23)14(2)19-21-18(22-25-19)15-7-8-15/h3-6,13-15H,7-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyKOWCZHGTORXSCV-UONOGXRCSA-N
MW344.43 g/mol
LogP3.53
Rot. Bonds5

About 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95155264) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95155264
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(C2CC2)no1)N1CCN([C@@H](C)c2ccccc2F)CC1
InChIInChI=1S/C19H25FN4O/c1-13(16-5-3-4-6-17(16)20)23-9-11-24(12-10-23)14(2)19-21-18(22-25-19)15-7-8-15/h3-6,13-15H,7-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyKOWCZHGTORXSCV-UONOGXRCSA-N
XLogP3.53
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95155264) is 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is C[C@H](c1nc(C2CC2)no1)N1CCN([C@@H](C)c2ccccc2F)CC1.
What is the InChIKey of 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is KOWCZHGTORXSCV-UONOGXRCSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-13(16-5-3-4-6-17(16)20)23-9-11-24(12-10-23)14(2)19-21-18(22-25-19)15-7-8-15/h3-6,13-15H,7-12H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 344.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95155264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).