2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide

C20H26N4O4 — CID 51269810

IUPAC2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCN(Cc2cc(C)no2)CC1
InChIInChI=1S/C20H26N4O4/c1-3-27-18-7-5-4-6-17(18)20(26)21-13-19(25)24-10-8-23(9-11-24)14-16-12-15(2)22-28-16/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,21,26)
InChIKeyQBTCLKOFHBWLLE-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.46
Rot. Bonds7

About 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 51269810) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID51269810
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCN(Cc2cc(C)no2)CC1
InChIInChI=1S/C20H26N4O4/c1-3-27-18-7-5-4-6-17(18)20(26)21-13-19(25)24-10-8-23(9-11-24)14-16-12-15(2)22-28-16/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,21,26)
InChIKeyQBTCLKOFHBWLLE-UHFFFAOYSA-N
XLogP1.46
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 51269811
2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51269825
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
N-(2-ethoxyphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147921
2-(4-ethoxyphenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 134063448
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 18138965
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 51269654
ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 51160741

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 51269810) is 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)N1CCN(Cc2cc(C)no2)CC1.
What is the InChIKey of 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is QBTCLKOFHBWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-3-27-18-7-5-4-6-17(18)20(26)21-13-19(25)24-10-8-23(9-11-24)14-16-12-15(2)22-28-16/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,21,26).
What are the key properties of 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 51269810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).