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

C14H18FN5O — CID 127681939

IUPAC2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)N2CCN(c3cncc(F)c3)CC2)o1
InChIInChI=1S/C14H18FN5O/c1-10(14-18-17-11(2)21-14)19-3-5-20(6-4-19)13-7-12(15)8-16-9-13/h7-10H,3-6H2,1-2H3
InChIKeyZPEZTNRJTSCTCG-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.80
Rot. Bonds3

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

2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 127681939) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID127681939
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)N2CCN(c3cncc(F)c3)CC2)o1
InChIInChI=1S/C14H18FN5O/c1-10(14-18-17-11(2)21-14)19-3-5-20(6-4-19)13-7-12(15)8-16-9-13/h7-10H,3-6H2,1-2H3
InChIKeyZPEZTNRJTSCTCG-UHFFFAOYSA-N
XLogP1.80
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole (CID 127681939) is 2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C(C)N2CCN(c3cncc(F)c3)CC2)o1.
What is the InChIKey of 2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is ZPEZTNRJTSCTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-10(14-18-17-11(2)21-14)19-3-5-20(6-4-19)13-7-12(15)8-16-9-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 291.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 127681939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).