5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole

C14H15N3O4 — CID 53374250

IUPAC5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(/C=C/c2ccc(OC)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C14H15N3O4/c1-3-4-13-15-14(21-16-13)8-6-10-5-7-12(20-2)11(9-10)17(18)19/h5-9H,3-4H2,1-2H3/b8-6+
InChIKeyCNEVZPBZXJJWCB-SOFGYWHQSA-N
MW289.29 g/mol
LogP3.11
Rot. Bonds6

About 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole

5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 53374250) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole
PubChem CID53374250
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(/C=C/c2ccc(OC)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C14H15N3O4/c1-3-4-13-15-14(21-16-13)8-6-10-5-7-12(20-2)11(9-10)17(18)19/h5-9H,3-4H2,1-2H3/b8-6+
InChIKeyCNEVZPBZXJJWCB-SOFGYWHQSA-N
XLogP3.11
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-octyl-1,2,4-oxadiazole
CID 53374537
4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
CID 11000537
4-(4-methoxy-3-nitrophenyl)but-3-enenitrile
CID 170800367
4-methoxy-3-nitrobenzaldehyde
CID 700608
3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol
CID 25050820
(3-propyl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate
CID 36582524
N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide
CID 78015760
(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide
CID 57480489
4-[3-(3,5-dimethoxyphenyl)prop-1-enyl]-1-methoxy-2-nitrobenzene
CID 69347901
3-[(3,4-dimethoxyphenyl)methyl]-5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazole
CID 15995429
3-nitro-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 115595414
1-(4-methoxy-3-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 3943394

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole (CID 53374250) is 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(/C=C/c2ccc(OC)c([N+](=O)[O-])c2)n1.
What is the InChIKey of 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is CNEVZPBZXJJWCB-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-4-13-15-14(21-16-13)8-6-10-5-7-12(20-2)11(9-10)17(18)19/h5-9H,3-4H2,1-2H3/b8-6+.
What are the key properties of 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole?
5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 289.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 53374250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).