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

C5H7NO3 — CID 45116480

IUPACmethyl 4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCOC(=O)C1C=NOC1
InChIInChI=1S/C5H7NO3/c1-8-5(7)4-2-6-9-3-4/h2,4H,3H2,1H3
InChIKeyCHWXLBUERLBMSN-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.21
Rot. Bonds1

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

methyl 4,5-dihydro-1,2-oxazole-4-carboxylate (PubChem CID 45116480) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is methyl 4,5-dihydro-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dihydro-1,2-oxazole-4-carboxylate
PubChem CID45116480
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Namemethyl 4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCOC(=O)C1C=NOC1
InChIInChI=1S/C5H7NO3/c1-8-5(7)4-2-6-9-3-4/h2,4H,3H2,1H3
InChIKeyCHWXLBUERLBMSN-UHFFFAOYSA-N
XLogP-0.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dihydro-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 4,5-dihydro-1,2-oxazole-4-carboxylate (CID 45116480) is methyl 4,5-dihydro-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 4,5-dihydro-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 4,5-dihydro-1,2-oxazole-4-carboxylate is COC(=O)C1C=NOC1.
What is the InChIKey of methyl 4,5-dihydro-1,2-oxazole-4-carboxylate?
The InChIKey is CHWXLBUERLBMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-8-5(7)4-2-6-9-3-4/h2,4H,3H2,1H3.
What are the key properties of methyl 4,5-dihydro-1,2-oxazole-4-carboxylate?
methyl 4,5-dihydro-1,2-oxazole-4-carboxylate has a molecular weight of 129.11 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dihydro-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 45116480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).