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

C6H7NO3 — CID 122129777

IUPACmethyl 4-methyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1nocc1C
InChIInChI=1S/C6H7NO3/c1-4-3-10-7-5(4)6(8)9-2/h3H,1-2H3
InChIKeyWVUONPRQJSSIOM-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.77
Rot. Bonds1

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

methyl 4-methyl-1,2-oxazole-3-carboxylate (PubChem CID 122129777) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl 4-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1,2-oxazole-3-carboxylate
PubChem CID122129777
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Namemethyl 4-methyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1nocc1C
InChIInChI=1S/C6H7NO3/c1-4-3-10-7-5(4)6(8)9-2/h3H,1-2H3
InChIKeyWVUONPRQJSSIOM-UHFFFAOYSA-N
XLogP0.77
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 4-methyl-1,2-oxazole-3-carboxylate (CID 122129777) is methyl 4-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1,2-oxazole-3-carboxylate is COC(=O)c1nocc1C.
What is the InChIKey of methyl 4-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is WVUONPRQJSSIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4-3-10-7-5(4)6(8)9-2/h3H,1-2H3.
What are the key properties of methyl 4-methyl-1,2-oxazole-3-carboxylate?
methyl 4-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 141.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 122129777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).