methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate

C9H11NO5 — CID 10822465

IUPACmethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)Cc1oc(C)nc1C(=O)OC
InChIInChI=1S/C9H11NO5/c1-5-10-8(9(12)14-3)6(15-5)4-7(11)13-2/h4H2,1-3H3
InChIKeyYSOBBXNPVDOCNQ-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.49
Rot. Bonds3

About methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate

methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate (PubChem CID 10822465) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate
PubChem CID10822465
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Namemethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)Cc1oc(C)nc1C(=O)OC
InChIInChI=1S/C9H11NO5/c1-5-10-8(9(12)14-3)6(15-5)4-7(11)13-2/h4H2,1-3H3
InChIKeyYSOBBXNPVDOCNQ-UHFFFAOYSA-N
XLogP0.49
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate (CID 10822465) is methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate is COC(=O)Cc1oc(C)nc1C(=O)OC.
What is the InChIKey of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is YSOBBXNPVDOCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-5-10-8(9(12)14-3)6(15-5)4-7(11)13-2/h4H2,1-3H3.
What are the key properties of methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate?
methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 213.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10822465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).