ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate

C9H12FNO3 — CID 102320231

IUPACethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(C)c1[C@@H](C)F
InChIInChI=1S/C9H12FNO3/c1-4-13-9(12)8-7(5(2)10)6(3)11-14-8/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyHVDOEFKPYMHBGV-RXMQYKEDSA-N
MW201.20 g/mol
LogP2.19
Rot. Bonds3

About ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate

ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 102320231) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate
PubChem CID102320231
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Nameethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(C)c1[C@@H](C)F
InChIInChI=1S/C9H12FNO3/c1-4-13-9(12)8-7(5(2)10)6(3)11-14-8/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyHVDOEFKPYMHBGV-RXMQYKEDSA-N
XLogP2.19
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate (CID 102320231) is ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate is CCOC(=O)c1onc(C)c1[C@@H](C)F.
What is the InChIKey of ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is HVDOEFKPYMHBGV-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-4-13-9(12)8-7(5(2)10)6(3)11-14-8/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate?
ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 201.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1R)-1-fluoroethyl]-3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 102320231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).