methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate

C22H17N5O7 — CID 143758387

IUPACmethyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C(COCc2ccccc2)NC(=O)c2coc(-c3coc(C#N)n3)n2)n1
InChIInChI=1S/C22H17N5O7/c1-30-22(29)17-12-34-20(27-17)15(9-31-8-13-5-3-2-4-6-13)25-19(28)14-10-33-21(26-14)16-11-32-18(7-23)24-16/h2-6,10-12,15H,8-9H2,1H3,(H,25,28)
InChIKeyHREHJXZSLGRVTG-UHFFFAOYSA-N
MW463.41 g/mol
LogP2.66
Rot. Bonds9

About methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate

methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate (PubChem CID 143758387) has the molecular formula C22H17N5O7 and a molecular weight of 463.41 g/mol. Its IUPAC name is methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate
PubChem CID143758387
Molecular FormulaC22H17N5O7
Molecular Weight463.41 g/mol
Exact Mass463.11
IUPAC Namemethyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C(COCc2ccccc2)NC(=O)c2coc(-c3coc(C#N)n3)n2)n1
InChIInChI=1S/C22H17N5O7/c1-30-22(29)17-12-34-20(27-17)15(9-31-8-13-5-3-2-4-6-13)25-19(28)14-10-33-21(26-14)16-11-32-18(7-23)24-16/h2-6,10-12,15H,8-9H2,1H3,(H,25,28)
InChIKeyHREHJXZSLGRVTG-UHFFFAOYSA-N
XLogP2.66
TPSA166.51 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate 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

methyl 2-[(1S)-1-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate
CID 102207843
methyl 2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
CID 101457357
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 5103806
methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 102444482
benzyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798181
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503
benzyl 2-[[2-(1-amino-2-hydroxyethyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3596071
methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 11984205
methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 11034970
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate (CID 143758387) is methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(C(COCc2ccccc2)NC(=O)c2coc(-c3coc(C#N)n3)n2)n1.
What is the InChIKey of methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate?
The InChIKey is HREHJXZSLGRVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O7/c1-30-22(29)17-12-34-20(27-17)15(9-31-8-13-5-3-2-4-6-13)25-19(28)14-10-33-21(26-14)16-11-32-18(7-23)24-16/h2-6,10-12,15H,8-9H2,1H3,(H,25,28).
What are the key properties of methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate?
methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate has a molecular weight of 463.41 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[2-(2-cyano-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonyl]amino]-2-phenylmethoxyethyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 143758387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).