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

C21H22F2N4O — CID 30637072

IUPAC2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESC[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H22F2N4O/c1-15(20-24-25-21(28-20)16-6-8-18(22)9-7-16)27-12-10-26(11-13-27)14-17-4-2-3-5-19(17)23/h2-9,15H,10-14H2,1H3/t15-/m1/s1
InChIKeyFKMRPSZGRPRWPP-OAHLLOKOSA-N
MW384.43 g/mol
LogP3.89
Rot. Bonds5

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

2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 30637072) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID30637072
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESC[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H22F2N4O/c1-15(20-24-25-21(28-20)16-6-8-18(22)9-7-16)27-12-10-26(11-13-27)14-17-4-2-3-5-19(17)23/h2-9,15H,10-14H2,1H3/t15-/m1/s1
InChIKeyFKMRPSZGRPRWPP-OAHLLOKOSA-N
XLogP3.89
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 51625161
2-[(1R)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95256306
2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40939270
2-(3-chlorophenyl)-5-[(1R)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 8596494
2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9130894
2-[(1S)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 51620116
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
2-[(1R)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 9047168
2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 134032568
2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 56787377
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 8597865
2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8559669

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole (CID 30637072) is 2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is FKMRPSZGRPRWPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22F2N4O/c1-15(20-24-25-21(28-20)16-6-8-18(22)9-7-16)27-12-10-26(11-13-27)14-17-4-2-3-5-19(17)23/h2-9,15H,10-14H2,1H3/t15-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 384.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 30637072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).