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

C10H6F2N2O3 — CID 165455831

IUPAC5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccn2)noc1C(F)F
InChIInChI=1S/C10H6F2N2O3/c11-9(12)8-6(10(15)16)7(14-17-8)5-3-1-2-4-13-5/h1-4,9H,(H,15,16)
InChIKeyUAAJFBNVWPAVGB-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.37
Rot. Bonds3

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

5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 165455831) has the molecular formula C10H6F2N2O3 and a molecular weight of 240.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID165455831
Molecular FormulaC10H6F2N2O3
Molecular Weight240.17 g/mol
Exact Mass240.03
IUPAC Name5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccn2)noc1C(F)F
InChIInChI=1S/C10H6F2N2O3/c11-9(12)8-6(10(15)16)7(14-17-8)5-3-1-2-4-13-5/h1-4,9H,(H,15,16)
InChIKeyUAAJFBNVWPAVGB-UHFFFAOYSA-N
XLogP2.37
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid (CID 165455831) is 5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2ccccn2)noc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is UAAJFBNVWPAVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O3/c11-9(12)8-6(10(15)16)7(14-17-8)5-3-1-2-4-13-5/h1-4,9H,(H,15,16).
What are the key properties of 5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid?
5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 240.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165455831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).