methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C6H9NO3 — CID 10844497

IUPACmethyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(C)=N1
InChIInChI=1S/C6H9NO3/c1-4-7-5(3-10-4)6(8)9-2/h5H,3H2,1-2H3
InChIKeySNYAIJXJIRNCGO-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.02
Rot. Bonds1

About methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 10844497) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID10844497
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1COC(C)=N1
InChIInChI=1S/C6H9NO3/c1-4-7-5(3-10-4)6(8)9-2/h5H,3H2,1-2H3
InChIKeySNYAIJXJIRNCGO-UHFFFAOYSA-N
XLogP-0.02
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 10844497) is methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1COC(C)=N1.
What is the InChIKey of methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is SNYAIJXJIRNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4-7-5(3-10-4)6(8)9-2/h5H,3H2,1-2H3.
What are the key properties of methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 143.14 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10844497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).