2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

C20H14BrN3O4 — CID 1300223

IUPAC2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C20H14BrN3O4/c21-14-5-9-16(10-6-14)27-12-18(25)22-15-7-3-13(4-8-15)19-23-24-20(28-19)17-2-1-11-26-17/h1-11H,12H2,(H,22,25)
InChIKeyIRQSFUSXNVUVHL-UHFFFAOYSA-N
MW440.25 g/mol
LogP4.78
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 1300223) has the molecular formula C20H14BrN3O4 and a molecular weight of 440.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID1300223
Molecular FormulaC20H14BrN3O4
Molecular Weight440.25 g/mol
Exact Mass439.02
IUPAC Name2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C20H14BrN3O4/c21-14-5-9-16(10-6-14)27-12-18(25)22-15-7-3-13(4-8-15)19-23-24-20(28-19)17-2-1-11-26-17/h1-11H,12H2,(H,22,25)
InChIKeyIRQSFUSXNVUVHL-UHFFFAOYSA-N
XLogP4.78
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 17359051
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17018603
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2231472
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
2,2,2-trifluoro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 766025
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834611
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 1300223) is 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is IRQSFUSXNVUVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O4/c21-14-5-9-16(10-6-14)27-12-18(25)22-15-7-3-13(4-8-15)19-23-24-20(28-19)17-2-1-11-26-17/h1-11H,12H2,(H,22,25).
What are the key properties of 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 440.25 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 1300223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).