4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid

C10H11F2NO4 — CID 103198945

IUPAC4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(CC2CCCO2)nc1C(F)F
InChIInChI=1S/C10H11F2NO4/c11-9(12)7-8(10(14)15)17-6(13-7)4-5-2-1-3-16-5/h5,9H,1-4H2,(H,14,15)
InChIKeyPZAFIPFNPQUPLX-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.03
Rot. Bonds4

About 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid

4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103198945) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103198945
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(CC2CCCO2)nc1C(F)F
InChIInChI=1S/C10H11F2NO4/c11-9(12)7-8(10(14)15)17-6(13-7)4-5-2-1-3-16-5/h5,9H,1-4H2,(H,14,15)
InChIKeyPZAFIPFNPQUPLX-UHFFFAOYSA-N
XLogP2.03
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid (CID 103198945) is 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(CC2CCCO2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is PZAFIPFNPQUPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c11-9(12)7-8(10(14)15)17-6(13-7)4-5-2-1-3-16-5/h5,9H,1-4H2,(H,14,15).
What are the key properties of 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid?
4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 247.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103198945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).