4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid

C11H9F2NO4 — CID 114103645

IUPAC4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1occc1-c1nc(C(F)F)c(C(=O)O)o1
InChIInChI=1S/C11H9F2NO4/c1-2-6-5(3-4-17-6)10-14-7(9(12)13)8(18-10)11(15)16/h3-4,9H,2H2,1H3,(H,15,16)
InChIKeyQKHRPFVTYYDSFZ-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.13
Rot. Bonds4

About 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid

4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114103645) has the molecular formula C11H9F2NO4 and a molecular weight of 257.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID114103645
Molecular FormulaC11H9F2NO4
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1occc1-c1nc(C(F)F)c(C(=O)O)o1
InChIInChI=1S/C11H9F2NO4/c1-2-6-5(3-4-17-6)10-14-7(9(12)13)8(18-10)11(15)16/h3-4,9H,2H2,1H3,(H,15,16)
InChIKeyQKHRPFVTYYDSFZ-UHFFFAOYSA-N
XLogP3.13
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid (CID 114103645) is 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid is CCc1occc1-c1nc(C(F)F)c(C(=O)O)o1.
What is the InChIKey of 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is QKHRPFVTYYDSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO4/c1-2-6-5(3-4-17-6)10-14-7(9(12)13)8(18-10)11(15)16/h3-4,9H,2H2,1H3,(H,15,16).
What are the key properties of 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid?
4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 257.19 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(2-ethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114103645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).