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

C20H21N3O3 — CID 83273342

IUPAC(E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide
SMILESCCCN(CCc1nc(-c2ccco2)no1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-13-23(19(24)11-10-16-7-4-3-5-8-16)14-12-18-21-20(22-26-18)17-9-6-15-25-17/h3-11,15H,2,12-14H2,1H3/b11-10+
InChIKeyRXMKPPHUNNVKMD-ZHACJKMWSA-N
MW351.41 g/mol
LogP3.82
Rot. Bonds8

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

(E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide (PubChem CID 83273342) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide
PubChem CID83273342
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide
SMILESCCCN(CCc1nc(-c2ccco2)no1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-13-23(19(24)11-10-16-7-4-3-5-8-16)14-12-18-21-20(22-26-18)17-9-6-15-25-17/h3-11,15H,2,12-14H2,1H3/b11-10+
InChIKeyRXMKPPHUNNVKMD-ZHACJKMWSA-N
XLogP3.82
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.82
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

N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide
CID 171136530
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide
CID 83277422
(E)-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 91635403
(E)-N-benzyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylprop-2-enamide
CID 83279134
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 4580452
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 55555280
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylprop-2-enamide
CID 71951743
methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55554526
(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
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
(E)-3-(3-bromophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylprop-2-enamide
CID 43009965

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide?
The IUPAC name of (E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide (CID 83273342) is (E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide is CCCN(CCc1nc(-c2ccco2)no1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide?
The InChIKey is RXMKPPHUNNVKMD-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-13-23(19(24)11-10-16-7-4-3-5-8-16)14-12-18-21-20(22-26-18)17-9-6-15-25-17/h3-11,15H,2,12-14H2,1H3/b11-10+.
What are the key properties of (E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide?
(E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide has a molecular weight of 351.41 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenyl-N-propylprop-2-enamide is sourced from PubChem (CID 83273342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).