4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole

C10H14F3N3O — CID 84706958

IUPAC4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1CN1CCNCC1
InChIInChI=1S/C10H14F3N3O/c1-7-8(6-16-4-2-14-3-5-16)17-9(15-7)10(11,12)13/h14H,2-6H2,1H3
InChIKeyVLNGWGNSWXULCE-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.41
Rot. Bonds2

About 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole

4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 84706958) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
PubChem CID84706958
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1CN1CCNCC1
InChIInChI=1S/C10H14F3N3O/c1-7-8(6-16-4-2-14-3-5-16)17-9(15-7)10(11,12)13/h14H,2-6H2,1H3
InChIKeyVLNGWGNSWXULCE-UHFFFAOYSA-N
XLogP1.41
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole (CID 84706958) is 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole is Cc1nc(C(F)(F)F)oc1CN1CCNCC1.
What is the InChIKey of 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is VLNGWGNSWXULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7-8(6-16-4-2-14-3-5-16)17-9(15-7)10(11,12)13/h14H,2-6H2,1H3.
What are the key properties of 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 249.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 84706958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).