2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C14H17FN4O — CID 62672288

IUPAC2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CNCCN1Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN4O/c1-10-8-16-6-7-19(10)9-13-17-18-14(20-13)11-2-4-12(15)5-3-11/h2-5,10,16H,6-9H2,1H3
InChIKeySRTQEVNRJBCFEZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.67
Rot. Bonds3

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

2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 62672288) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID62672288
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CNCCN1Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN4O/c1-10-8-16-6-7-19(10)9-13-17-18-14(20-13)11-2-4-12(15)5-3-11/h2-5,10,16H,6-9H2,1H3
InChIKeySRTQEVNRJBCFEZ-UHFFFAOYSA-N
XLogP1.67
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 62672288) is 2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is CC1CNCCN1Cc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is SRTQEVNRJBCFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10-8-16-6-7-19(10)9-13-17-18-14(20-13)11-2-4-12(15)5-3-11/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 276.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 62672288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).