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

C5H3Cl2NO3 — CID 83680359

IUPACmethyl 2,5-dichloro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(Cl)oc1Cl
InChIInChI=1S/C5H3Cl2NO3/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3
InChIKeyHFLWKGVXXUUOJR-UHFFFAOYSA-N
MW195.99 g/mol
LogP1.77
Rot. Bonds1

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

methyl 2,5-dichloro-1,3-oxazole-4-carboxylate (PubChem CID 83680359) has the molecular formula C5H3Cl2NO3 and a molecular weight of 195.99 g/mol. Its IUPAC name is methyl 2,5-dichloro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dichloro-1,3-oxazole-4-carboxylate
PubChem CID83680359
Molecular FormulaC5H3Cl2NO3
Molecular Weight195.99 g/mol
Exact Mass194.95
IUPAC Namemethyl 2,5-dichloro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(Cl)oc1Cl
InChIInChI=1S/C5H3Cl2NO3/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3
InChIKeyHFLWKGVXXUUOJR-UHFFFAOYSA-N
XLogP1.77
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dichloro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2,5-dichloro-1,3-oxazole-4-carboxylate (CID 83680359) is methyl 2,5-dichloro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2,5-dichloro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2,5-dichloro-1,3-oxazole-4-carboxylate is COC(=O)c1nc(Cl)oc1Cl.
What is the InChIKey of methyl 2,5-dichloro-1,3-oxazole-4-carboxylate?
The InChIKey is HFLWKGVXXUUOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO3/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3.
What are the key properties of methyl 2,5-dichloro-1,3-oxazole-4-carboxylate?
methyl 2,5-dichloro-1,3-oxazole-4-carboxylate has a molecular weight of 195.99 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dichloro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 83680359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).