(5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

C17H16BrFN6O2 — CID 30857931

IUPAC(5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16BrFN6O2/c18-15-6-5-14(27-15)17(26)24-9-7-23(8-10-24)11-16-20-21-22-25(16)13-3-1-12(19)2-4-13/h1-6H,7-11H2
InChIKeyOSIOLPAGQNWMAD-UHFFFAOYSA-N
MW435.26 g/mol
LogP2.11
Rot. Bonds4

About (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

(5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 30857931) has the molecular formula C17H16BrFN6O2 and a molecular weight of 435.26 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID30857931
Molecular FormulaC17H16BrFN6O2
Molecular Weight435.26 g/mol
Exact Mass434.05
IUPAC Name(5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H16BrFN6O2/c18-15-6-5-14(27-15)17(26)24-9-7-23(8-10-24)11-16-20-21-22-25(16)13-3-1-12(19)2-4-13/h1-6H,7-11H2
InChIKeyOSIOLPAGQNWMAD-UHFFFAOYSA-N
XLogP2.11
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 16799259
N-{[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-5-nitrofuran-2-carboxamide
CID 16799315
(5-Bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 46891383
5-Bromo-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}furan-2-carboxamide
CID 22579868
1-(4-Fluoro-phenyl)-3-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-urea
CID 648781
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2336321
(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 30857968
5-bromo-N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}furan-2-carboxamide
CID 27443738
5-bromo-N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}furan-2-carboxamide
CID 27545895
5-bromo-N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 27554854
N-{[1-(3,4-Difluorophenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}furan-2-carboxamide
CID 27555010
(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)(furan-2-yl)methanone
CID 30857928

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 30857931) is (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is OSIOLPAGQNWMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN6O2/c18-15-6-5-14(27-15)17(26)24-9-7-23(8-10-24)11-16-20-21-22-25(16)13-3-1-12(19)2-4-13/h1-6H,7-11H2.
What are the key properties of (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 435.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30857931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).