5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C22H23N3O5 — CID 48987740

IUPAC5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3cc(OC)ccc3OC)on2)cc1
InChIInChI=1S/C22H23N3O5/c1-23-21(26)15-7-5-14(6-8-15)13-25(2)22(27)18-12-20(30-24-18)17-11-16(28-3)9-10-19(17)29-4/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeySHPBMLWMCUZEPU-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.99
Rot. Bonds7

About 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 48987740) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID48987740
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3cc(OC)ccc3OC)on2)cc1
InChIInChI=1S/C22H23N3O5/c1-23-21(26)15-7-5-14(6-8-15)13-25(2)22(27)18-12-20(30-24-18)17-11-16(28-3)9-10-19(17)29-4/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeySHPBMLWMCUZEPU-UHFFFAOYSA-N
XLogP2.99
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide 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

N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide
CID 42823001
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 38744450
5-cyclopropyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 24667486
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-methylacetamide
CID 42823000
N-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48981217
5-(2,5-dimethoxyphenyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 49026163
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
N-benzyl-N-[2-(diethylamino)-2-oxoethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070724
5-(2,5-dimethoxyphenyl)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143982
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 8966511

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 48987740) is 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3cc(OC)ccc3OC)on2)cc1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SHPBMLWMCUZEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-23-21(26)15-7-5-14(6-8-15)13-25(2)22(27)18-12-20(30-24-18)17-11-16(28-3)9-10-19(17)29-4/h5-12H,13H2,1-4H3,(H,23,26).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 48987740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).