N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide

C6H6F2N2O2 — CID 130666663

IUPACN-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NCC(F)F)c1cnco1
InChIInChI=1S/C6H6F2N2O2/c7-5(8)2-10-6(11)4-1-9-3-12-4/h1,3,5H,2H2,(H,10,11)
InChIKeyJCOFXUAUHOVIIE-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.67
Rot. Bonds3

About N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide

N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide (PubChem CID 130666663) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide
PubChem CID130666663
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC NameN-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NCC(F)F)c1cnco1
InChIInChI=1S/C6H6F2N2O2/c7-5(8)2-10-6(11)4-1-9-3-12-4/h1,3,5H,2H2,(H,10,11)
InChIKeyJCOFXUAUHOVIIE-UHFFFAOYSA-N
XLogP0.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide (CID 130666663) is N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide is O=C(NCC(F)F)c1cnco1.
What is the InChIKey of N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is JCOFXUAUHOVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-5(8)2-10-6(11)4-1-9-3-12-4/h1,3,5H,2H2,(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide?
N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 176.12 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 130666663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).