3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole

C13H10BrN3O3 — CID 5303952

IUPAC3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1ncccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C13H10BrN3O3/c1-2-18-12-8(4-3-7-15-12)13-16-11(17-20-13)9-5-6-10(14)19-9/h3-7H,2H2,1H3
InChIKeyCPCKQDFWQOFHKC-UHFFFAOYSA-N
MW336.15 g/mol
LogP3.55
Rot. Bonds4

About 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole

3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 5303952) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID5303952
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1ncccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C13H10BrN3O3/c1-2-18-12-8(4-3-7-15-12)13-16-11(17-20-13)9-5-6-10(14)19-9/h3-7H,2H2,1H3
InChIKeyCPCKQDFWQOFHKC-UHFFFAOYSA-N
XLogP3.55
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(5-Bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine
CID 718328
3-[5-(5-Bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 666421
4-[5-(Furan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 699742
3-(5-Furan-2-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 577823
4-[5-(2-Methyl-3-furyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 659608
4-[5-(5-Bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 888395
3-{3-[4-({1-[(5-Methylfuran-2-YL)methyl]azetidin-3-YL}oxy)phenyl]-1,2,4-oxadiazol-5-YL}pyridine
CID 124042736
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(5-methyl-2-furyl)methyl]-2-pyridinamine
CID 28389379
(3-(3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)(2-methoxypyridin-3-yl)methanone
CID 71784460
4-[3-(5-Bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine
CID 718318
1-[3-(5-Ethyl-1,2,4-oxadiazol-3-YL)-2-pyridyl]-N~3~-(2-furylmethyl)-N~3~-methyl-3-piperidinecarboxamide
CID 53166204
2-ethoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]nicotinamide
CID 70751959

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole (CID 5303952) is 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole is CCOc1ncccc1-c1nc(-c2ccc(Br)o2)no1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is CPCKQDFWQOFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c1-2-18-12-8(4-3-7-15-12)13-16-11(17-20-13)9-5-6-10(14)19-9/h3-7H,2H2,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 336.15 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 5303952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).