2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide

C15H8BrF2N3O6 — CID 3810645

IUPAC2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Br)o2)oc1=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C15H8BrF2N3O6/c16-11-4-3-9(24-11)13-20-21(14(23)25-13)6-12(22)19-7-1-2-8-10(5-7)27-15(17,18)26-8/h1-5H,6H2,(H,19,22)
InChIKeyCQDIIBREEAYYQS-UHFFFAOYSA-N
MW444.14 g/mol
LogP2.82
Rot. Bonds4

About 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide

2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (PubChem CID 3810645) has the molecular formula C15H8BrF2N3O6 and a molecular weight of 444.14 g/mol. Its IUPAC name is 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
PubChem CID3810645
Molecular FormulaC15H8BrF2N3O6
Molecular Weight444.14 g/mol
Exact Mass442.96
IUPAC Name2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESO=C(Cn1nc(-c2ccc(Br)o2)oc1=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C15H8BrF2N3O6/c16-11-4-3-9(24-11)13-20-21(14(23)25-13)6-12(22)19-7-1-2-8-10(5-7)27-15(17,18)26-8/h1-5H,6H2,(H,19,22)
InChIKeyCQDIIBREEAYYQS-UHFFFAOYSA-N
XLogP2.82
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26954542
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 24599485
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3706333
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2114683
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529267
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
N-(3,5-difluorophenyl)-2-[5-(furan-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 17493986
N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46420592
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[5-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2425975
2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanamide
CID 116816927
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080824
1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904442

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (CID 3810645) is 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is O=C(Cn1nc(-c2ccc(Br)o2)oc1=O)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is CQDIIBREEAYYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2N3O6/c16-11-4-3-9(24-11)13-20-21(14(23)25-13)6-12(22)19-7-1-2-8-10(5-7)27-15(17,18)26-8/h1-5H,6H2,(H,19,22).
What are the key properties of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 444.14 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 3810645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).