3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide

C23H26N4O4 — CID 50842162

IUPAC3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCCN1CCN(C(=O)Cn2c(=O)oc3ccc(C(=O)Nc4ccc(C)cc4)cc32)CC1
InChIInChI=1S/C23H26N4O4/c1-3-25-10-12-26(13-11-25)21(28)15-27-19-14-17(6-9-20(19)31-23(27)30)22(29)24-18-7-4-16(2)5-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,29)
InChIKeyCCJVBRZHXHGEFO-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.32
Rot. Bonds5

About 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 50842162) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID50842162
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCCN1CCN(C(=O)Cn2c(=O)oc3ccc(C(=O)Nc4ccc(C)cc4)cc32)CC1
InChIInChI=1S/C23H26N4O4/c1-3-25-10-12-26(13-11-25)21(28)15-27-19-14-17(6-9-20(19)31-23(27)30)22(29)24-18-7-4-16(2)5-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,29)
InChIKeyCCJVBRZHXHGEFO-UHFFFAOYSA-N
XLogP2.32
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-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

3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842111
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50841902
6-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]quinazoline-4-carboxamide
CID 167826598
3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50842004
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 166406072
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
2-bromo-4-methoxy-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]benzamide
CID 167749710
3-[2-[4-(dimethylamino)azepan-1-yl]-2-oxoethyl]-5-methyl-1,3-benzoxazol-2-one
CID 56911720
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 20879533
6-methoxy-4-methyl-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-indole-2-carboxamide
CID 167772413
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 167981360
5-(4-benzylpiperazine-1-carbonyl)-3-ethyl-1,3-benzoxazol-2-one
CID 53067164

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide (CID 50842162) is 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide is CCN1CCN(C(=O)Cn2c(=O)oc3ccc(C(=O)Nc4ccc(C)cc4)cc32)CC1.
What is the InChIKey of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is CCJVBRZHXHGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-25-10-12-26(13-11-25)21(28)15-27-19-14-17(6-9-20(19)31-23(27)30)22(29)24-18-7-4-16(2)5-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,29).
What are the key properties of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 50842162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).