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

C20H21FN4O — CID 40939270

IUPAC2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESC[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H21FN4O/c1-15(19-22-23-20(26-19)16-7-3-2-4-8-16)24-11-13-25(14-12-24)18-10-6-5-9-17(18)21/h2-10,15H,11-14H2,1H3/t15-/m0/s1
InChIKeyUJWOFOZSIMKBDW-HNNXBMFYSA-N
MW352.41 g/mol
LogP3.76
Rot. Bonds4

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

2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 40939270) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID40939270
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESC[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H21FN4O/c1-15(19-22-23-20(26-19)16-7-3-2-4-8-16)24-11-13-25(14-12-24)18-10-6-5-9-17(18)21/h2-10,15H,11-14H2,1H3/t15-/m0/s1
InChIKeyUJWOFOZSIMKBDW-HNNXBMFYSA-N
XLogP3.76
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 17408693
2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 25346846
2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
CID 92724535
2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 20944444
4-chloro-2-phenyl-5-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one
CID 41189361
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 30637072
N,N-dimethyl-4-[4-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
CID 95774401
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994
2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 46249026

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 40939270) is 2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UJWOFOZSIMKBDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-15(19-22-23-20(26-19)16-7-3-2-4-8-16)24-11-13-25(14-12-24)18-10-6-5-9-17(18)21/h2-10,15H,11-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 352.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 40939270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).