fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate

C5H3ClFNO3 — CID 144870360

IUPACfluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(Cl)nc1C(=O)OF
InChIInChI=1S/C5H3ClFNO3/c1-2-3(4(9)11-7)8-5(6)10-2/h1H3
InChIKeyYJONRMLRFIVFSM-UHFFFAOYSA-N
MW179.53 g/mol
LogP1.68
Rot. Bonds1

About fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate

fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 144870360) has the molecular formula C5H3ClFNO3 and a molecular weight of 179.53 g/mol. Its IUPAC name is fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namefluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID144870360
Molecular FormulaC5H3ClFNO3
Molecular Weight179.53 g/mol
Exact Mass178.98
IUPAC Namefluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(Cl)nc1C(=O)OF
InChIInChI=1S/C5H3ClFNO3/c1-2-3(4(9)11-7)8-5(6)10-2/h1H3
InChIKeyYJONRMLRFIVFSM-UHFFFAOYSA-N
XLogP1.68
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.53
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate (CID 144870360) is fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate is Cc1oc(Cl)nc1C(=O)OF.
What is the InChIKey of fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is YJONRMLRFIVFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFNO3/c1-2-3(4(9)11-7)8-5(6)10-2/h1H3.
What are the key properties of fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate?
fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 179.53 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-chloro-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 144870360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).