3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C13H9BrN4O3 — CID 5300888

IUPAC3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C13H9BrN4O3/c14-10-2-1-9(20-10)11-17-13(21-18-11)12(19)16-7-8-3-5-15-6-4-8/h1-6H,7H2,(H,16,19)
InChIKeyIOZDSSXZAHSWIX-UHFFFAOYSA-N
MW349.14 g/mol
LogP2.42
Rot. Bonds4

About 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5300888) has the molecular formula C13H9BrN4O3 and a molecular weight of 349.14 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID5300888
Molecular FormulaC13H9BrN4O3
Molecular Weight349.14 g/mol
Exact Mass347.99
IUPAC Name3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccncc1)c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C13H9BrN4O3/c14-10-2-1-9(20-10)11-17-13(21-18-11)12(19)16-7-8-3-5-15-6-4-8/h1-6H,7H2,(H,16,19)
InChIKeyIOZDSSXZAHSWIX-UHFFFAOYSA-N
XLogP2.42
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-Bromofuran-2-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752709
Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
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
2-[5-(3-Bromo-furan-2-yl)-[1,2,4]oxadiazol-3-yl]-5-trifluoromethyl-pyridine
CID 10291989
3-(5-Furan-2-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 577823
4-[5-(5-Bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 888395
5-bromo-N-(3-methylpyridin-2-yl)furan-2-carboxamide
CID 5005570
5-bromo-N-(2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl)furan-2-carboxamide
CID 5310477
5-bromo-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]furan-2-carboxamide
CID 16187040

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 5300888) is 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccncc1)c1nc(-c2ccc(Br)o2)no1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is IOZDSSXZAHSWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O3/c14-10-2-1-9(20-10)11-17-13(21-18-11)12(19)16-7-8-3-5-15-6-4-8/h1-6H,7H2,(H,16,19).
What are the key properties of 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 349.14 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5300888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).