5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide

C23H32N4O4 — CID 51070741

IUPAC5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
SMILESCOCCN(CCC(=O)N1CCN(C)CC1)C(=O)c1cc(-c2cc(C)ccc2C)on1
InChIInChI=1S/C23H32N4O4/c1-17-5-6-18(2)19(15-17)21-16-20(24-31-21)23(29)27(13-14-30-4)8-7-22(28)26-11-9-25(3)10-12-26/h5-6,15-16H,7-14H2,1-4H3
InChIKeyWIYPUYBPKDTRBQ-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.21
Rot. Bonds8

About 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide

5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide (PubChem CID 51070741) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
PubChem CID51070741
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
SMILESCOCCN(CCC(=O)N1CCN(C)CC1)C(=O)c1cc(-c2cc(C)ccc2C)on1
InChIInChI=1S/C23H32N4O4/c1-17-5-6-18(2)19(15-17)21-16-20(24-31-21)23(29)27(13-14-30-4)8-7-22(28)26-11-9-25(3)10-12-26/h5-6,15-16H,7-14H2,1-4H3
InChIKeyWIYPUYBPKDTRBQ-UHFFFAOYSA-N
XLogP2.21
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide (CID 51070741) is 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide is COCCN(CCC(=O)N1CCN(C)CC1)C(=O)c1cc(-c2cc(C)ccc2C)on1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WIYPUYBPKDTRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-17-5-6-18(2)19(15-17)21-16-20(24-31-21)23(29)27(13-14-30-4)8-7-22(28)26-11-9-25(3)10-12-26/h5-6,15-16H,7-14H2,1-4H3.
What are the key properties of 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide?
5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51070741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).