(E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide

C22H23N3O5 — CID 97413863

IUPAC(E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide
SMILESCOc1cc(-c2noc([C@@H](C)NC(=O)/C=C/c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-14(23-19(26)11-10-15-8-6-5-7-9-15)22-24-21(25-30-22)16-12-17(27-2)20(29-4)18(13-16)28-3/h5-14H,1-4H3,(H,23,26)/b11-10+/t14-/m1/s1
InChIKeyGRJCAVAEJPTKKW-PLSXKVAHSA-N
MW409.44 g/mol
LogP3.65
Rot. Bonds8

About (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide

(E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide (PubChem CID 97413863) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide
PubChem CID97413863
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name(E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide
SMILESCOc1cc(-c2noc([C@@H](C)NC(=O)/C=C/c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-14(23-19(26)11-10-15-8-6-5-7-9-15)22-24-21(25-30-22)16-12-17(27-2)20(29-4)18(13-16)28-3/h5-14H,1-4H3,(H,23,26)/b11-10+/t14-/m1/s1
InChIKeyGRJCAVAEJPTKKW-PLSXKVAHSA-N
XLogP3.65
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-propan-2-yl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide
CID 171136450
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
(E)-N-[(1R,2S)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylprop-2-enamide
CID 98370304
(E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 60568773
N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide
CID 93117460
2-bromo-N-[1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101490
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124
4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 98695111
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-3-phenylprop-2-enamide
CID 171136426
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267
N-propan-2-yl-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3159481

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide (CID 97413863) is (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide is COc1cc(-c2noc([C@@H](C)NC(=O)/C=C/c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide?
The InChIKey is GRJCAVAEJPTKKW-PLSXKVAHSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(23-19(26)11-10-15-8-6-5-7-9-15)22-24-21(25-30-22)16-12-17(27-2)20(29-4)18(13-16)28-3/h5-14H,1-4H3,(H,23,26)/b11-10+/t14-/m1/s1.
What are the key properties of (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide?
(E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide has a molecular weight of 409.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 97413863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).