3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole

C12H7BrN6O2 — CID 71864475

IUPAC3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole
SMILESCc1ccnc2nc(-c3nc(-c4ccc(Br)o4)no3)nn12
InChIInChI=1S/C12H7BrN6O2/c1-6-4-5-14-12-16-10(17-19(6)12)11-15-9(18-21-11)7-2-3-8(13)20-7/h2-5H,1H3
InChIKeyJMCSOBWXDJJRSZ-UHFFFAOYSA-N
MW347.13 g/mol
LogP2.51
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole

3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole (PubChem CID 71864475) has the molecular formula C12H7BrN6O2 and a molecular weight of 347.13 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole
PubChem CID71864475
Molecular FormulaC12H7BrN6O2
Molecular Weight347.13 g/mol
Exact Mass345.98
IUPAC Name3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole
SMILESCc1ccnc2nc(-c3nc(-c4ccc(Br)o4)no3)nn12
InChIInChI=1S/C12H7BrN6O2/c1-6-4-5-14-12-16-10(17-19(6)12)11-15-9(18-21-11)7-2-3-8(13)20-7/h2-5H,1H3
InChIKeyJMCSOBWXDJJRSZ-UHFFFAOYSA-N
XLogP2.51
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(5-Bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine
CID 718328
11-(Furan-2-yl)-4-propyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
CID 57396936
11-(Furan-2-yl)-4-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
CID 57402161
US8927738, 5,8-Dimethyl-2-{2-[1-methyl-2-(5-methyl-furan-2-yl)-1H-imidazol-4-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyrazine
CID 67259820
4-[11-(Furan-2-yl)-3-methyl-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]morpholine
CID 57391696
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 53555219
3-{[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl}-1-methyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one
CID 72924306
5-{[3-(2-Furyl)-1,2,4-oxadiazol-5-yl]methyl}-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 91830701
3-[1-(4-Bromophenyl)-3-methyl-1H-pyrazol-4-YL]-N-[(5-methylfuran-2-YL)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 20931755
3-(5-Bromo-2-furyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]methyl}-1,2,4-oxadiazole
CID 5303954
6-bromo-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2172570
5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide
CID 23602092

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole (CID 71864475) is 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole is Cc1ccnc2nc(-c3nc(-c4ccc(Br)o4)no3)nn12.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is JMCSOBWXDJJRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN6O2/c1-6-4-5-14-12-16-10(17-19(6)12)11-15-9(18-21-11)7-2-3-8(13)20-7/h2-5H,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 347.13 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71864475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).