ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate

C12H11F2NO3S — CID 25211089

IUPACethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2onc(C(F)F)c2C)s1
InChIInChI=1S/C12H11F2NO3S/c1-3-17-12(16)8-5-4-7(19-8)10-6(2)9(11(13)14)15-18-10/h4-5,11H,3H2,1-2H3
InChIKeyGAQWBHJFJPLMCE-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.83
Rot. Bonds4

About ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate

ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate (PubChem CID 25211089) has the molecular formula C12H11F2NO3S and a molecular weight of 287.29 g/mol. Its IUPAC name is ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate
PubChem CID25211089
Molecular FormulaC12H11F2NO3S
Molecular Weight287.29 g/mol
Exact Mass287.04
IUPAC Nameethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2onc(C(F)F)c2C)s1
InChIInChI=1S/C12H11F2NO3S/c1-3-17-12(16)8-5-4-7(19-8)10-6(2)9(11(13)14)15-18-10/h4-5,11H,3H2,1-2H3
InChIKeyGAQWBHJFJPLMCE-UHFFFAOYSA-N
XLogP3.83
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate (CID 25211089) is ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate is CCOC(=O)c1ccc(-c2onc(C(F)F)c2C)s1.
What is the InChIKey of ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate?
The InChIKey is GAQWBHJFJPLMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3S/c1-3-17-12(16)8-5-4-7(19-8)10-6(2)9(11(13)14)15-18-10/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate?
ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate has a molecular weight of 287.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylate is sourced from PubChem (CID 25211089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).