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

C23H19N3O5 — CID 30332465

IUPAC(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccco3)n2)cc1OC
InChIInChI=1S/C23H19N3O5/c1-28-19-11-9-15(14-20(19)29-2)22-25-23(31-26-22)17-7-3-4-8-18(17)24-21(27)12-10-16-6-5-13-30-16/h3-14H,1-2H3,(H,24,27)/b12-10+
InChIKeyPAMXHPLWVUXNCG-ZRDIBKRKSA-N
MW417.42 g/mol
LogP4.67
Rot. Bonds7

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

(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 30332465) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is (E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID30332465
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccco3)n2)cc1OC
InChIInChI=1S/C23H19N3O5/c1-28-19-11-9-15(14-20(19)29-2)22-25-23(31-26-22)17-7-3-4-8-18(17)24-21(27)12-10-16-6-5-13-30-16/h3-14H,1-2H3,(H,24,27)/b12-10+
InChIKeyPAMXHPLWVUXNCG-ZRDIBKRKSA-N
XLogP4.67
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.67
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

N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4900186
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 45493199
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
(E)-3-(4-methoxyphenyl)-N-[2-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enamide
CID 51044215
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
CID 30330604
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
2-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methoxybenzoyl]amino]benzoate
CID 7372507
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methoxybenzamide
CID 30330455
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
(E)-N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 28865327
2-iodo-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 43903830

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide (CID 30332465) is (E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide is COc1ccc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccco3)n2)cc1OC.
What is the InChIKey of (E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is PAMXHPLWVUXNCG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-28-19-11-9-15(14-20(19)29-2)22-25-23(31-26-22)17-7-3-4-8-18(17)24-21(27)12-10-16-6-5-13-30-16/h3-14H,1-2H3,(H,24,27)/b12-10+.
What are the key properties of (E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 417.42 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 30332465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).