3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

C14H16F3N5O — CID 120957284

IUPAC3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1nc(C(F)(F)F)ccc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C14H16F3N5O/c1-8-9(3-4-11(19-8)14(15,16)17)13-20-12(21-23-13)10-7-18-5-6-22(10)2/h3-4,10,18H,5-7H2,1-2H3
InChIKeyRTQPTDMUGCTJMZ-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.03
Rot. Bonds2

About 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole

3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 120957284) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID120957284
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1nc(C(F)(F)F)ccc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C14H16F3N5O/c1-8-9(3-4-11(19-8)14(15,16)17)13-20-12(21-23-13)10-7-18-5-6-22(10)2/h3-4,10,18H,5-7H2,1-2H3
InChIKeyRTQPTDMUGCTJMZ-UHFFFAOYSA-N
XLogP2.03
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 120957284) is 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is Cc1nc(C(F)(F)F)ccc1-c1nc(C2CNCCN2C)no1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is RTQPTDMUGCTJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-8-9(3-4-11(19-8)14(15,16)17)13-20-12(21-23-13)10-7-18-5-6-22(10)2/h3-4,10,18H,5-7H2,1-2H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole?
3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 327.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120957284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).