ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate

C14H19F2NO4 — CID 103199080

IUPACethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2C(C)OC(C)C2C)nc1C(F)F
InChIInChI=1S/C14H19F2NO4/c1-5-19-14(18)11-10(12(15)16)17-13(21-11)9-6(2)7(3)20-8(9)4/h6-9,12H,5H2,1-4H3
InChIKeyDXZKFDWQLGDALH-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.32
Rot. Bonds4

About ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate

ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate (PubChem CID 103199080) has the molecular formula C14H19F2NO4 and a molecular weight of 303.31 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate
PubChem CID103199080
Molecular FormulaC14H19F2NO4
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC Nameethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2C(C)OC(C)C2C)nc1C(F)F
InChIInChI=1S/C14H19F2NO4/c1-5-19-14(18)11-10(12(15)16)17-13(21-11)9-6(2)7(3)20-8(9)4/h6-9,12H,5H2,1-4H3
InChIKeyDXZKFDWQLGDALH-UHFFFAOYSA-N
XLogP3.32
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate (CID 103199080) is ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C2C(C)OC(C)C2C)nc1C(F)F.
What is the InChIKey of ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate?
The InChIKey is DXZKFDWQLGDALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO4/c1-5-19-14(18)11-10(12(15)16)17-13(21-11)9-6(2)7(3)20-8(9)4/h6-9,12H,5H2,1-4H3.
What are the key properties of ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate?
ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).