2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole

C24H22FN5O — CID 92893066

IUPAC2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccccc1[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H22FN5O/c25-20-11-5-4-10-19(20)22(24-28-27-23(31-24)18-8-2-1-3-9-18)30-16-14-29(15-17-30)21-12-6-7-13-26-21/h1-13,22H,14-17H2/t22-/m0/s1
InChIKeyBMZQUWGKLBFFBP-QFIPXVFZSA-N
MW415.47 g/mol
LogP4.18
Rot. Bonds5

About 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole

2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 92893066) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID92893066
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccccc1[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H22FN5O/c25-20-11-5-4-10-19(20)22(24-28-27-23(31-24)18-8-2-1-3-9-18)30-16-14-29(15-17-30)21-12-6-7-13-26-21/h1-13,22H,14-17H2/t22-/m0/s1
InChIKeyBMZQUWGKLBFFBP-QFIPXVFZSA-N
XLogP4.18
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 46249026
2-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92707823
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 20944444
2-[(S)-[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92707824
2-[(2-fluorophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 46339167
2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 9396200
2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
CID 84756586
2-(3-chlorophenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 8620018
2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
CID 92724535
2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40939270
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914
2-[(S)-(4-bromophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 92719971

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 92893066) is 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is Fc1ccccc1[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is BMZQUWGKLBFFBP-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-20-11-5-4-10-19(20)22(24-28-27-23(31-24)18-8-2-1-3-9-18)30-16-14-29(15-17-30)21-12-6-7-13-26-21/h1-13,22H,14-17H2/t22-/m0/s1.
What are the key properties of 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 415.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 92893066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).