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

C20H19N3O4 — CID 7711257

IUPAC(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(-c2nonc2NC(=O)/C=C/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-13-4-6-14(7-5-13)8-11-18(24)21-20-19(22-27-23-20)15-9-10-16(25-2)17(12-15)26-3/h4-12H,1-3H3,(H,21,23,24)/b11-8+
InChIKeyKDQKZAUHPWKDSH-DHZHZOJOSA-N
MW365.39 g/mol
LogP3.71
Rot. Bonds6

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

(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 7711257) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID7711257
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(-c2nonc2NC(=O)/C=C/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-13-4-6-14(7-5-13)8-11-18(24)21-20-19(22-27-23-20)15-9-10-16(25-2)17(12-15)26-3/h4-12H,1-3H3,(H,21,23,24)/b11-8+
InChIKeyKDQKZAUHPWKDSH-DHZHZOJOSA-N
XLogP3.71
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)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

Related Compounds

(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
CID 7693268
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 19244514
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
N-[2-methoxy-4-[3-methoxy-4-[3-(4-methylphenyl)prop-2-enoylamino]phenyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 4200270
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17013592
4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7692796
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
(E)-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 19244691
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
CID 17014046
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 7678995

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide (CID 7711257) is (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide is COc1ccc(-c2nonc2NC(=O)/C=C/c2ccc(C)cc2)cc1OC.
What is the InChIKey of (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is KDQKZAUHPWKDSH-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-4-6-14(7-5-13)8-11-18(24)21-20-19(22-27-23-20)15-9-10-16(25-2)17(12-15)26-3/h4-12H,1-3H3,(H,21,23,24)/b11-8+.
What are the key properties of (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 365.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 7711257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).