methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

C15H19N3O6 — CID 102444482

IUPACmethyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2coc([C@H](C)NC(=O)OC(C)(C)C)n2)n1
InChIInChI=1S/C15H19N3O6/c1-8(16-14(20)24-15(2,3)4)11-17-9(6-22-11)12-18-10(7-23-12)13(19)21-5/h6-8H,1-5H3,(H,16,20)/t8-/m0/s1
InChIKeyOMWPYIZRRUWUEX-QMMMGPOBSA-N
MW337.33 g/mol
LogP2.70
Rot. Bonds4

About methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 102444482) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
PubChem CID102444482
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC Namemethyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(-c2coc([C@H](C)NC(=O)OC(C)(C)C)n2)n1
InChIInChI=1S/C15H19N3O6/c1-8(16-14(20)24-15(2,3)4)11-17-9(6-22-11)12-18-10(7-23-12)13(19)21-5/h6-8H,1-5H3,(H,16,20)/t8-/m0/s1
InChIKeyOMWPYIZRRUWUEX-QMMMGPOBSA-N
XLogP2.70
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-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-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 122228769
methyl 2-[(1S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
CID 10686554
tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate
CID 68670260
methyl 2-[(1S)-1-acetamidoethyl]-1,3-oxazole-4-carboxylate
CID 70848419
2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid
CID 102496211
methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate
CID 131529915
methyl 2-(1-bromo-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 10515587
methyl (2S)-3-methyl-2-[[(2R,3R)-3-methyl-2-[3-[[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]propanoylamino]pentanoyl]amino]butanoate
CID 102407337
methyl 2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 24862308
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452
methyl 2-[2-[2-(acetyloxymethyl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 11034970

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (CID 102444482) is methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(-c2coc([C@H](C)NC(=O)OC(C)(C)C)n2)n1.
What is the InChIKey of methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is OMWPYIZRRUWUEX-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H19N3O6/c1-8(16-14(20)24-15(2,3)4)11-17-9(6-22-11)12-18-10(7-23-12)13(19)21-5/h6-8H,1-5H3,(H,16,20)/t8-/m0/s1.
What are the key properties of methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?
methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 102444482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).