5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole

C14H13BrFN7O2 — CID 141208894

IUPAC5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccc(Br)c(OC2CCN(c3nc(-c4nn[nH]n4)no3)CC2)c1
InChIInChI=1S/C14H13BrFN7O2/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-17-12(20-25-14)13-18-21-22-19-13/h1-2,7,9H,3-6H2,(H,18,19,21,22)
InChIKeyVGIVVNHWUIRWRZ-UHFFFAOYSA-N
MW410.21 g/mol
LogP2.20
Rot. Bonds4

About 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole

5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 141208894) has the molecular formula C14H13BrFN7O2 and a molecular weight of 410.21 g/mol. Its IUPAC name is 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
PubChem CID141208894
Molecular FormulaC14H13BrFN7O2
Molecular Weight410.21 g/mol
Exact Mass409.03
IUPAC Name5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccc(Br)c(OC2CCN(c3nc(-c4nn[nH]n4)no3)CC2)c1
InChIInChI=1S/C14H13BrFN7O2/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-17-12(20-25-14)13-18-21-22-19-13/h1-2,7,9H,3-6H2,(H,18,19,21,22)
InChIKeyVGIVVNHWUIRWRZ-UHFFFAOYSA-N
XLogP2.20
TPSA105.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole (CID 141208894) is 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is Fc1ccc(Br)c(OC2CCN(c3nc(-c4nn[nH]n4)no3)CC2)c1.
What is the InChIKey of 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is VGIVVNHWUIRWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN7O2/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-17-12(20-25-14)13-18-21-22-19-13/h1-2,7,9H,3-6H2,(H,18,19,21,22).
What are the key properties of 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole?
5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 410.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-3-(2H-tetrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 141208894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).