methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate

C15H21N3O6 — CID 72536404

IUPACmethyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1(C)COC(c2coc(CNC(=O)OC(C)(C)C)n2)=N1
InChIInChI=1S/C15H21N3O6/c1-14(2,3)24-13(20)16-6-10-17-9(7-22-10)11-18-15(4,8-23-11)12(19)21-5/h7H,6,8H2,1-5H3,(H,16,20)
InChIKeyVWVBTOQPYJWLEO-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.41
Rot. Bonds4

About methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate

methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate (PubChem CID 72536404) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate
PubChem CID72536404
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Namemethyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1(C)COC(c2coc(CNC(=O)OC(C)(C)C)n2)=N1
InChIInChI=1S/C15H21N3O6/c1-14(2,3)24-13(20)16-6-10-17-9(7-22-10)11-18-15(4,8-23-11)12(19)21-5/h7H,6,8H2,1-5H3,(H,16,20)
InChIKeyVWVBTOQPYJWLEO-UHFFFAOYSA-N
XLogP1.41
TPSA112.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-(2-ethyl-1,3-oxazol-4-yl)-4-methyl-5H-1,3-oxazole-4-carboxylate
CID 91377504
methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]-5H-1,3-thiazole-4-carboxylate
CID 70260133
(4S)-2-[2-[[[(3S)-3-(2-amino-3-methylbutanoyl)oxy-7-tritylsulfanylhept-4-enoyl]amino]methyl]-1,3-oxazol-4-yl]-4-methyl-5H-1,3-oxazole-4-carboxylic acid
CID 91288346
tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 157142413
tert-butyl N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]carbamate
CID 9079211
4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 154853416
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 170910216
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
tert-butyl N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]carbamate
CID 53349637
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 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxylate
CID 163398407
4-O-amino 1-O-tert-butyl butanedioate;tert-butyl N-(1,3,4-oxadiazol-2-ylmethyl)carbamate
CID 158494475

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate (CID 72536404) is methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate is COC(=O)C1(C)COC(c2coc(CNC(=O)OC(C)(C)C)n2)=N1.
What is the InChIKey of methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate?
The InChIKey is VWVBTOQPYJWLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-14(2,3)24-13(20)16-6-10-17-9(7-22-10)11-18-15(4,8-23-11)12(19)21-5/h7H,6,8H2,1-5H3,(H,16,20).
What are the key properties of methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate?
methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazol-4-yl]-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 72536404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).