4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C17H22FN5O2 — CID 95623041

IUPAC4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1noc([C@H](C)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H22FN5O2/c1-3-15-20-16(25-21-15)12(2)22-8-10-23(11-9-22)17(24)19-14-6-4-13(18)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,24)/t12-/m0/s1
InChIKeyKYAAHTUOSVRGIC-LBPRGKRZSA-N
MW347.39 g/mol
LogP2.68
Rot. Bonds4

About 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 95623041) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID95623041
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCCc1noc([C@H](C)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H22FN5O2/c1-3-15-20-16(25-21-15)12(2)22-8-10-23(11-9-22)17(24)19-14-6-4-13(18)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,24)/t12-/m0/s1
InChIKeyKYAAHTUOSVRGIC-LBPRGKRZSA-N
XLogP2.68
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100839495
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 42955070
4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 129396999
[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 51936604
4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 112840289
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877280
2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 119880668
4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperazine-1-carboxamide
CID 94172116
5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 51113077
(2S)-2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119880696

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 95623041) is 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is CCc1noc([C@H](C)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is KYAAHTUOSVRGIC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-3-15-20-16(25-21-15)12(2)22-8-10-23(11-9-22)17(24)19-14-6-4-13(18)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,19,24)/t12-/m0/s1.
What are the key properties of 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 95623041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).