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

C19H18FN3O3 — CID 43009982

IUPAC(E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccccc1F
InChIInChI=1S/C19H18FN3O3/c1-2-11-23(18(24)10-9-14-6-3-4-7-15(14)20)13-17-21-22-19(26-17)16-8-5-12-25-16/h3-10,12H,2,11,13H2,1H3/b10-9+
InChIKeyOKVLPLUZIMIREO-MDZDMXLPSA-N
MW355.37 g/mol
LogP3.92
Rot. Bonds7

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

(E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide (PubChem CID 43009982) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
PubChem CID43009982
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name(E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
SMILESCCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccccc1F
InChIInChI=1S/C19H18FN3O3/c1-2-11-23(18(24)10-9-14-6-3-4-7-15(14)20)13-17-21-22-19(26-17)16-8-5-12-25-16/h3-10,12H,2,11,13H2,1H3/b10-9+
InChIKeyOKVLPLUZIMIREO-MDZDMXLPSA-N
XLogP3.92
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.92
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-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
CID 43009965
(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
1-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrazole-4-carboxamide
CID 32569655
N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371766
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 78788628
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-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 85492334
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
2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile
CID 8689347

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide (CID 43009982) is (E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-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/c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide?
The InChIKey is OKVLPLUZIMIREO-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-2-11-23(18(24)10-9-14-6-3-4-7-15(14)20)13-17-21-22-19(26-17)16-8-5-12-25-16/h3-10,12H,2,11,13H2,1H3/b10-9+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide has a molecular weight of 355.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide is sourced from PubChem (CID 43009982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).