3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide

C10H6F2N2O2 — CID 175915011

IUPAC3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2c(F)cccc2F)no1
InChIInChI=1S/C10H6F2N2O2/c11-5-2-1-3-6(12)9(5)7-4-8(10(13)15)16-14-7/h1-4H,(H2,13,15)
InChIKeyVUJKHDDBFZWEOW-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.72
Rot. Bonds2

About 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide

3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 175915011) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID175915011
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2c(F)cccc2F)no1
InChIInChI=1S/C10H6F2N2O2/c11-5-2-1-3-6(12)9(5)7-4-8(10(13)15)16-14-7/h1-4H,(H2,13,15)
InChIKeyVUJKHDDBFZWEOW-UHFFFAOYSA-N
XLogP1.72
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide (CID 175915011) is 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide is NC(=O)c1cc(-c2c(F)cccc2F)no1.
What is the InChIKey of 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is VUJKHDDBFZWEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-5-2-1-3-6(12)9(5)7-4-8(10(13)15)16-14-7/h1-4H,(H2,13,15).
What are the key properties of 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide?
3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 224.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 175915011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).