N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide

C23H23N3O4 — CID 8895053

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide
SMILESC=CCOc1ccc(C(=O)N(CC=C)Cc2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C23H23N3O4/c1-4-14-26(23(27)18-8-12-20(13-9-18)29-15-5-2)16-21-24-22(25-30-21)17-6-10-19(28-3)11-7-17/h4-13H,1-2,14-16H2,3H3
InChIKeyDMKHVTUJDVUOTL-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.14
Rot. Bonds10

About N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide (PubChem CID 8895053) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide
PubChem CID8895053
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide
SMILESC=CCOc1ccc(C(=O)N(CC=C)Cc2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C23H23N3O4/c1-4-14-26(23(27)18-8-12-20(13-9-18)29-15-5-2)16-21-24-22(25-30-21)17-6-10-19(28-3)11-7-17/h4-13H,1-2,14-16H2,3H3
InChIKeyDMKHVTUJDVUOTL-UHFFFAOYSA-N
XLogP4.14
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide 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

3-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-N-prop-2-enylbenzamide
CID 8874467
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-N-prop-2-enylfuran-3-carboxamide
CID 6462227
2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8836015
3-tert-butyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-prop-2-enylurea
CID 8895882
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-prop-2-enoxybenzamide
CID 8895045
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propoxybenzamide
CID 8778966
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-nitro-N-prop-2-enylbenzamide
CID 8874592
3,4-dichloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 18524783
3-cyclopentyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylpropanamide
CID 8875322
3-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835655
5-chloro-2-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8875248
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-methoxybenzamide
CID 6494677

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide (CID 8895053) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide is C=CCOc1ccc(C(=O)N(CC=C)Cc2nc(-c3ccc(OC)cc3)no2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide?
The InChIKey is DMKHVTUJDVUOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-4-14-26(23(27)18-8-12-20(13-9-18)29-15-5-2)16-21-24-22(25-30-21)17-6-10-19(28-3)11-7-17/h4-13H,1-2,14-16H2,3H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide has a molecular weight of 405.45 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-enoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 8895053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).