benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate

C22H20N6O5 — CID 10623339

IUPACbenzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate
SMILESO=C(CNc1nc2nonc2nc1NCC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H20N6O5/c29-17(31-13-15-7-3-1-4-8-15)11-23-19-20(26-22-21(25-19)27-33-28-22)24-12-18(30)32-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,25,27)(H,24,26,28)
InChIKeyNPOHDEWHDXLQQV-UHFFFAOYSA-N
MW448.44 g/mol
LogP2.32
Rot. Bonds10

About benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate

benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate (PubChem CID 10623339) has the molecular formula C22H20N6O5 and a molecular weight of 448.44 g/mol. Its IUPAC name is benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate
PubChem CID10623339
Molecular FormulaC22H20N6O5
Molecular Weight448.44 g/mol
Exact Mass448.15
IUPAC Namebenzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate
SMILESO=C(CNc1nc2nonc2nc1NCC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H20N6O5/c29-17(31-13-15-7-3-1-4-8-15)11-23-19-20(26-22-21(25-19)27-33-28-22)24-12-18(30)32-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,25,27)(H,24,26,28)
InChIKeyNPOHDEWHDXLQQV-UHFFFAOYSA-N
XLogP2.32
TPSA141.36 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate 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

benzyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate
CID 728586
(4-chlorophenyl)methyl 2-anilinoacetate
CID 65127190
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
benzyl 2-aminoacetate
CID 122130027
[2-(sulfinatoamino)acetyl]oxymethylbenzene
CID 57164344
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
(2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid
CID 166706316
benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate
CID 126849644
ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate
CID 162365695

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate?
The IUPAC name of benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate (CID 10623339) is benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate.
What is the SMILES notation for benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate?
The canonical SMILES for benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate is O=C(CNc1nc2nonc2nc1NCC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate?
The InChIKey is NPOHDEWHDXLQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O5/c29-17(31-13-15-7-3-1-4-8-15)11-23-19-20(26-22-21(25-19)27-33-28-22)24-12-18(30)32-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,25,27)(H,24,26,28).
What are the key properties of benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate?
benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate has a molecular weight of 448.44 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[5-[(2-oxo-2-phenylmethoxyethyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]acetate is sourced from PubChem (CID 10623339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).