ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

C12H18FNO3 — CID 167362887

IUPACethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C2CC2F)CC(C(C)C)=NO1
InChIInChI=1S/C12H18FNO3/c1-4-16-11(15)12(8-5-9(8)13)6-10(7(2)3)14-17-12/h7-9H,4-6H2,1-3H3
InChIKeyGUCSMYGUXYBXEV-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.08
Rot. Bonds4

About ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (PubChem CID 167362887) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
PubChem CID167362887
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Nameethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C2CC2F)CC(C(C)C)=NO1
InChIInChI=1S/C12H18FNO3/c1-4-16-11(15)12(8-5-9(8)13)6-10(7(2)3)14-17-12/h7-9H,4-6H2,1-3H3
InChIKeyGUCSMYGUXYBXEV-UHFFFAOYSA-N
XLogP2.08
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (CID 167362887) is ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(C2CC2F)CC(C(C)C)=NO1.
What is the InChIKey of ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is GUCSMYGUXYBXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-4-16-11(15)12(8-5-9(8)13)6-10(7(2)3)14-17-12/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 243.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluorocyclopropyl)-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 167362887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).