2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C14H13Cl2F3N4O — CID 171702256

IUPAC2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)o1
InChIInChI=1S/C14H13Cl2F3N4O/c15-10-2-1-9(7-11(10)16)23-5-3-22(4-6-23)8-12-20-21-13(24-12)14(17,18)19/h1-2,7H,3-6,8H2
InChIKeyBIFFVOKIPNABGF-UHFFFAOYSA-N
MW381.19 g/mol
LogP3.72
Rot. Bonds3

About 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 171702256) has the molecular formula C14H13Cl2F3N4O and a molecular weight of 381.19 g/mol. Its IUPAC name is 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID171702256
Molecular FormulaC14H13Cl2F3N4O
Molecular Weight381.19 g/mol
Exact Mass380.04
IUPAC Name2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)o1
InChIInChI=1S/C14H13Cl2F3N4O/c15-10-2-1-9(7-11(10)16)23-5-3-22(4-6-23)8-12-20-21-13(24-12)14(17,18)19/h1-2,7H,3-6,8H2
InChIKeyBIFFVOKIPNABGF-UHFFFAOYSA-N
XLogP3.72
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 171702256) is 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)o1.
What is the InChIKey of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is BIFFVOKIPNABGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F3N4O/c15-10-2-1-9(7-11(10)16)23-5-3-22(4-6-23)8-12-20-21-13(24-12)14(17,18)19/h1-2,7H,3-6,8H2.
What are the key properties of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 381.19 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171702256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).