ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate

C9H12FNO3 — CID 166170157

IUPACethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)(C)F)on1
InChIInChI=1S/C9H12FNO3/c1-4-13-8(12)6-5-7(14-11-6)9(2,3)10/h5H,4H2,1-3H3
InChIKeySHYDFIDVWROYLQ-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.06
Rot. Bonds3

About ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate

ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate (PubChem CID 166170157) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate
PubChem CID166170157
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Nameethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)(C)F)on1
InChIInChI=1S/C9H12FNO3/c1-4-13-8(12)6-5-7(14-11-6)9(2,3)10/h5H,4H2,1-3H3
InChIKeySHYDFIDVWROYLQ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate (CID 166170157) is ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C(C)(C)F)on1.
What is the InChIKey of ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is SHYDFIDVWROYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-4-13-8(12)6-5-7(14-11-6)9(2,3)10/h5H,4H2,1-3H3.
What are the key properties of ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 201.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 166170157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).