dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate

C12H17NO6 — CID 102953731

IUPACdimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOCC(C)Cc1nc(C(=O)OC)c(C(=O)OC)o1
InChIInChI=1S/C12H17NO6/c1-7(6-16-2)5-8-13-9(11(14)17-3)10(19-8)12(15)18-4/h7H,5-6H2,1-4H3
InChIKeyRVPNPPBBTFYUIS-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.07
Rot. Bonds6

About dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953731) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953731
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Namedimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOCC(C)Cc1nc(C(=O)OC)c(C(=O)OC)o1
InChIInChI=1S/C12H17NO6/c1-7(6-16-2)5-8-13-9(11(14)17-3)10(19-8)12(15)18-4/h7H,5-6H2,1-4H3
InChIKeyRVPNPPBBTFYUIS-UHFFFAOYSA-N
XLogP1.07
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate (CID 102953731) is dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate is COCC(C)Cc1nc(C(=O)OC)c(C(=O)OC)o1.
What is the InChIKey of dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is RVPNPPBBTFYUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-7(6-16-2)5-8-13-9(11(14)17-3)10(19-8)12(15)18-4/h7H,5-6H2,1-4H3.
What are the key properties of dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 271.27 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).