N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide

C15H9BrClN3O3 — CID 71962268

IUPACN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C15H9BrClN3O3/c16-12-7-6-11(22-12)14-19-20-15(23-14)18-13(21)8-5-9-3-1-2-4-10(9)17/h1-8H,(H,18,20,21)
InChIKeyODMVLZBHIFMWED-UHFFFAOYSA-N
MW394.61 g/mol
LogP4.40
Rot. Bonds4

About N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 71962268) has the molecular formula C15H9BrClN3O3 and a molecular weight of 394.61 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide
PubChem CID71962268
Molecular FormulaC15H9BrClN3O3
Molecular Weight394.61 g/mol
Exact Mass392.95
IUPAC NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C15H9BrClN3O3/c16-12-7-6-11(22-12)14-19-20-15(23-14)18-13(21)8-5-9-3-1-2-4-10(9)17/h1-8H,(H,18,20,21)
InChIKeyODMVLZBHIFMWED-UHFFFAOYSA-N
XLogP4.40
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74908853
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 74907246
(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43976983
(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 6012658
(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 7295048
3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 5185539
3-(2-chlorophenyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74732897
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 43972821
5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
CID 43972822
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 43972703
(E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43975112
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 43972655

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide (CID 71962268) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1nnc(-c2ccc(Br)o2)o1.
What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is ODMVLZBHIFMWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3O3/c16-12-7-6-11(22-12)14-19-20-15(23-14)18-13(21)8-5-9-3-1-2-4-10(9)17/h1-8H,(H,18,20,21).
What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide?
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 394.61 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 71962268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).