(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

C20H17N3O4 — CID 87045571

IUPAC(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H17N3O4/c1-13-2-5-15(20-23-21-12-27-20)11-16(13)22-19(24)7-4-14-3-6-17-18(10-14)26-9-8-25-17/h2-7,10-12H,8-9H2,1H3,(H,22,24)/b7-4+
InChIKeyUOCFCEOFUKFFES-QPJJXVBHSA-N
MW363.37 g/mol
LogP3.47
Rot. Bonds4

About (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (PubChem CID 87045571) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
PubChem CID87045571
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H17N3O4/c1-13-2-5-15(20-23-21-12-27-20)11-16(13)22-19(24)7-4-14-3-6-17-18(10-14)26-9-8-25-17/h2-7,10-12H,8-9H2,1H3,(H,22,24)/b7-4+
InChIKeyUOCFCEOFUKFFES-QPJJXVBHSA-N
XLogP3.47
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (CID 87045571) is (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is Cc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccc2c(c1)OCCO2.
What is the InChIKey of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is UOCFCEOFUKFFES-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13-2-5-15(20-23-21-12-27-20)11-16(13)22-19(24)7-4-14-3-6-17-18(10-14)26-9-8-25-17/h2-7,10-12H,8-9H2,1H3,(H,22,24)/b7-4+.
What are the key properties of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 363.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 87045571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).