4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid

C11H13F2NO4 — CID 103198978

IUPAC4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(CCC2CCCO2)nc1C(F)F
InChIInChI=1S/C11H13F2NO4/c12-10(13)8-9(11(15)16)18-7(14-8)4-3-6-2-1-5-17-6/h6,10H,1-5H2,(H,15,16)
InChIKeyYHJIHGOAOJXRAZ-UHFFFAOYSA-N
MW261.22 g/mol
LogP2.42
Rot. Bonds5

About 4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid

4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid (PubChem CID 103198978) has the molecular formula C11H13F2NO4 and a molecular weight of 261.22 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
PubChem CID103198978
Molecular FormulaC11H13F2NO4
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Name4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(CCC2CCCO2)nc1C(F)F
InChIInChI=1S/C11H13F2NO4/c12-10(13)8-9(11(15)16)18-7(14-8)4-3-6-2-1-5-17-6/h6,10H,1-5H2,(H,15,16)
InChIKeyYHJIHGOAOJXRAZ-UHFFFAOYSA-N
XLogP2.42
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 52.42
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-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid (CID 103198978) is 4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(CCC2CCCO2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is YHJIHGOAOJXRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4/c12-10(13)8-9(11(15)16)18-7(14-8)4-3-6-2-1-5-17-6/h6,10H,1-5H2,(H,15,16).
What are the key properties of 4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid?
4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 261.22 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-[2-(oxolan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103198978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).