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

C25H28N4O4 — CID 51070161

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(C(=O)C(NC(=O)c2cc(-c3cccc(OC)c3)on2)c2ccccc2)CC1
InChIInChI=1S/C25H28N4O4/c1-3-28-12-14-29(15-13-28)25(31)23(18-8-5-4-6-9-18)26-24(30)21-17-22(33-27-21)19-10-7-11-20(16-19)32-2/h4-11,16-17,23H,3,12-15H2,1-2H3,(H,26,30)
InChIKeyNRNRETXBLMFAQO-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.99
Rot. Bonds7

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

N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 51070161) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID51070161
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCN1CCN(C(=O)C(NC(=O)c2cc(-c3cccc(OC)c3)on2)c2ccccc2)CC1
InChIInChI=1S/C25H28N4O4/c1-3-28-12-14-29(15-13-28)25(31)23(18-8-5-4-6-9-18)26-24(30)21-17-22(33-27-21)19-10-7-11-20(16-19)32-2/h4-11,16-17,23H,3,12-15H2,1-2H3,(H,26,30)
InChIKeyNRNRETXBLMFAQO-UHFFFAOYSA-N
XLogP2.99
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 93140823
N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42822366
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140685
5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42822390
ethyl (3S)-1-[(2R)-2-[[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-3-phenylpropanoyl]piperidine-3-carboxylate
CID 93140691
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 73168515
N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110313296
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46087211
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
3,5-dimethoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287011
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 51070161) is N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is CCN1CCN(C(=O)C(NC(=O)c2cc(-c3cccc(OC)c3)on2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NRNRETXBLMFAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-3-28-12-14-29(15-13-28)25(31)23(18-8-5-4-6-9-18)26-24(30)21-17-22(33-27-21)19-10-7-11-20(16-19)32-2/h4-11,16-17,23H,3,12-15H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 448.52 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 N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51070161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).