methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

C7H11NO3 — CID 544674

IUPACmethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(C)=NO1
InChIInChI=1S/C7H11NO3/c1-5-4-7(2,11-8-5)6(9)10-3/h4H2,1-3H3
InChIKeyCVRCYGNOUKGMOG-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.71
Rot. Bonds1

About methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 544674) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
PubChem CID544674
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(C)CC(C)=NO1
InChIInChI=1S/C7H11NO3/c1-5-4-7(2,11-8-5)6(9)10-3/h4H2,1-3H3
InChIKeyCVRCYGNOUKGMOG-UHFFFAOYSA-N
XLogP0.71
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (CID 544674) is methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is COC(=O)C1(C)CC(C)=NO1.
What is the InChIKey of methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is CVRCYGNOUKGMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-4-7(2,11-8-5)6(9)10-3/h4H2,1-3H3.
What are the key properties of methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 544674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).