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

C11H16N2O5 — CID 15315493

IUPACmethyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(NC(=O)OC(C)(C)C)noc1C
InChIInChI=1S/C11H16N2O5/c1-6-7(9(14)16-5)8(13-18-6)12-10(15)17-11(2,3)4/h1-5H3,(H,12,13,15)
InChIKeyIOPVOTYQQFSLLH-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.12
Rot. Bonds2

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

methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate (PubChem CID 15315493) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
PubChem CID15315493
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namemethyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(NC(=O)OC(C)(C)C)noc1C
InChIInChI=1S/C11H16N2O5/c1-6-7(9(14)16-5)8(13-18-6)12-10(15)17-11(2,3)4/h1-5H3,(H,12,13,15)
InChIKeyIOPVOTYQQFSLLH-UHFFFAOYSA-N
XLogP2.12
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
CID 10945034
tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate
CID 143009004
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
tert-butyl N-(5-amino-3-methyl-1,2-oxazol-4-yl)carbamate
CID 117274287
tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
CID 102538020
tert-butyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate
CID 129320251
tert-butyl 5-methyl-3-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,2-oxazole-4-carboxylate
CID 100983604
tert-butyl N-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazol-3-yl]carbamate
CID 131747412
methyl 6-(2-fluoropropan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 176943347
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
tert-butyl N-(6-nitro-1,2-benzoxazol-3-yl)carbamate
CID 155691162
tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate
CID 168652006

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate (CID 15315493) is methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate is COC(=O)c1c(NC(=O)OC(C)(C)C)noc1C.
What is the InChIKey of methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate?
The InChIKey is IOPVOTYQQFSLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-6-7(9(14)16-5)8(13-18-6)12-10(15)17-11(2,3)4/h1-5H3,(H,12,13,15).
What are the key properties of methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate?
methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 15315493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).