methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate

C18H19NO5 — CID 164928914

IUPACmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C23C4C5C2C2C3C4C52C(=O)OC(C)(C)C)n1
InChIInChI=1S/C18H19NO5/c1-16(2,3)24-15(21)18-10-7-11(18)9-12(18)8(10)17(7,9)14-19-6(5-23-14)13(20)22-4/h5,7-12H,1-4H3
InChIKeyNXLFAZZAYZHDFB-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.79
Rot. Bonds3

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

methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate (PubChem CID 164928914) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate
PubChem CID164928914
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(C23C4C5C2C2C3C4C52C(=O)OC(C)(C)C)n1
InChIInChI=1S/C18H19NO5/c1-16(2,3)24-15(21)18-10-7-11(18)9-12(18)8(10)17(7,9)14-19-6(5-23-14)13(20)22-4/h5,7-12H,1-4H3
InChIKeyNXLFAZZAYZHDFB-UHFFFAOYSA-N
XLogP1.79
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate (CID 164928914) is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(C23C4C5C2C2C3C4C52C(=O)OC(C)(C)C)n1.
What is the InChIKey of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is NXLFAZZAYZHDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-16(2,3)24-15(21)18-10-7-11(18)9-12(18)8(10)17(7,9)14-19-6(5-23-14)13(20)22-4/h5,7-12H,1-4H3.
What are the key properties of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate?
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]cuban-1-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 164928914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).