(3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone

C14H14BrFN4O2 — CID 110610752

IUPAC(3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc(N2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)o1
InChIInChI=1S/C14H14BrFN4O2/c1-9-17-18-14(22-9)20-4-2-19(3-5-20)13(21)10-6-11(15)8-12(16)7-10/h6-8H,2-5H2,1H3
InChIKeyNQOOPQXCACMKRZ-UHFFFAOYSA-N
MW369.19 g/mol
LogP2.24
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone

(3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 110610752) has the molecular formula C14H14BrFN4O2 and a molecular weight of 369.19 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
PubChem CID110610752
Molecular FormulaC14H14BrFN4O2
Molecular Weight369.19 g/mol
Exact Mass368.03
IUPAC Name(3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc(N2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)o1
InChIInChI=1S/C14H14BrFN4O2/c1-9-17-18-14(22-9)20-4-2-19(3-5-20)13(21)10-6-11(15)8-12(16)7-10/h6-8H,2-5H2,1H3
InChIKeyNQOOPQXCACMKRZ-UHFFFAOYSA-N
XLogP2.24
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-5-fluorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 63390803
(3-bromo-5-fluorophenyl)-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone
CID 110629427
[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46472827
4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092
ethyl 6-[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55718432
1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417236
furan-2-yl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603036
(3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603131
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110419080
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
CID 55216485
(3-bromo-5-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46471336

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (CID 110610752) is (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone is Cc1nnc(N2CCN(C(=O)c3cc(F)cc(Br)c3)CC2)o1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is NQOOPQXCACMKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4O2/c1-9-17-18-14(22-9)20-4-2-19(3-5-20)13(21)10-6-11(15)8-12(16)7-10/h6-8H,2-5H2,1H3.
What are the key properties of (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
(3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 369.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110610752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).