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

C25H28N4O3 — CID 42822366

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(C(=O)C(NC(=O)c2cc(-c3ccc(C)cc3)on2)c2ccccc2)CC1
InChIInChI=1S/C25H28N4O3/c1-3-28-13-15-29(16-14-28)25(31)23(20-7-5-4-6-8-20)26-24(30)21-17-22(32-27-21)19-11-9-18(2)10-12-19/h4-12,17,23H,3,13-16H2,1-2H3,(H,26,30)
InChIKeySYAAIEDSLMJMBX-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.29
Rot. Bonds6

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

N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 42822366) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID42822366
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(C(=O)C(NC(=O)c2cc(-c3ccc(C)cc3)on2)c2ccccc2)CC1
InChIInChI=1S/C25H28N4O3/c1-3-28-13-15-29(16-14-28)25(31)23(20-7-5-4-6-8-20)26-24(30)21-17-22(32-27-21)19-11-9-18(2)10-12-19/h4-12,17,23H,3,13-16H2,1-2H3,(H,26,30)
InChIKeySYAAIEDSLMJMBX-UHFFFAOYSA-N
XLogP3.29
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070161
5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 93140823
N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42822361
5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
CID 95738529
N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110313296
N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93138369
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313232
5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143742
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 90483007

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 42822366) is N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is CCN1CCN(C(=O)C(NC(=O)c2cc(-c3ccc(C)cc3)on2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SYAAIEDSLMJMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-28-13-15-29(16-14-28)25(31)23(20-7-5-4-6-8-20)26-24(30)21-17-22(32-27-21)19-11-9-18(2)10-12-19/h4-12,17,23H,3,13-16H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42822366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).