(E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide

C19H18BrN3O3 — CID 43009965

IUPAC(E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1cccc(Br)c1
InChIInChI=1S/C19H18BrN3O3/c1-2-10-23(18(24)9-8-14-5-3-6-15(20)12-14)13-17-21-22-19(26-17)16-7-4-11-25-16/h3-9,11-12H,2,10,13H2,1H3/b9-8+
InChIKeyZVMZTRQPDDMMFP-CMDGGOBGSA-N
MW416.28 g/mol
LogP4.54
Rot. Bonds7

About (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide

(E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide (PubChem CID 43009965) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
PubChem CID43009965
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name(E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1cccc(Br)c1
InChIInChI=1S/C19H18BrN3O3/c1-2-10-23(18(24)9-8-14-5-3-6-15(20)12-14)13-17-21-22-19(26-17)16-7-4-11-25-16/h3-9,11-12H,2,10,13H2,1H3/b9-8+
InChIKeyZVMZTRQPDDMMFP-CMDGGOBGSA-N
XLogP4.54
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
CID 32567973
(E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
CID 43009982
(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
CID 32569451
N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-N-propylbenzamide
CID 26172473
N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354
(E)-3-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)prop-2-enamide
CID 115771892
(E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide
CID 83273342
1-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrazole-4-carboxamide
CID 32569655
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpropanamide
CID 51533923
N-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32569182
2-(4-chlorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 32570401
N-[1-(2-bromophenyl)ethyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 60505670

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide (CID 43009965) is (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide is CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1cccc(Br)c1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide?
The InChIKey is ZVMZTRQPDDMMFP-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-2-10-23(18(24)9-8-14-5-3-6-15(20)12-14)13-17-21-22-19(26-17)16-7-4-11-25-16/h3-9,11-12H,2,10,13H2,1H3/b9-8+.
What are the key properties of (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide?
(E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide has a molecular weight of 416.28 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide is sourced from PubChem (CID 43009965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).