2-(difluoromethyl)-1,3-oxazole-4-carboxamide

C5H4F2N2O2 — CID 121334359

IUPAC2-(difluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(C(F)F)n1
InChIInChI=1S/C5H4F2N2O2/c6-3(7)5-9-2(1-11-5)4(8)10/h1,3H,(H2,8,10)
InChIKeyXAMLYDXCGDYINX-UHFFFAOYSA-N
MW162.10 g/mol
LogP0.71
Rot. Bonds2

About 2-(difluoromethyl)-1,3-oxazole-4-carboxamide

2-(difluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 121334359) has the molecular formula C5H4F2N2O2 and a molecular weight of 162.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID121334359
Molecular FormulaC5H4F2N2O2
Molecular Weight162.10 g/mol
Exact Mass162.02
IUPAC Name2-(difluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(C(F)F)n1
InChIInChI=1S/C5H4F2N2O2/c6-3(7)5-9-2(1-11-5)4(8)10/h1,3H,(H2,8,10)
InChIKeyXAMLYDXCGDYINX-UHFFFAOYSA-N
XLogP0.71
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-1,3-oxazole-4-carboxamide (CID 121334359) is 2-(difluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-1,3-oxazole-4-carboxamide is NC(=O)c1coc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XAMLYDXCGDYINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2/c6-3(7)5-9-2(1-11-5)4(8)10/h1,3H,(H2,8,10).
What are the key properties of 2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
2-(difluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 162.10 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121334359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).