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

C7H8F2N2O3 — CID 123189604

IUPACN-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(F)F)c1cc(CO)on1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)2-10-7(13)5-1-4(3-12)14-11-5/h1,6,12H,2-3H2,(H,10,13)
InChIKeyFVVGTIAOKYMCMA-UHFFFAOYSA-N
MW206.15 g/mol
LogP0.16
Rot. Bonds4

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

N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 123189604) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID123189604
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC NameN-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(F)F)c1cc(CO)on1
InChIInChI=1S/C7H8F2N2O3/c8-6(9)2-10-7(13)5-1-4(3-12)14-11-5/h1,6,12H,2-3H2,(H,10,13)
InChIKeyFVVGTIAOKYMCMA-UHFFFAOYSA-N
XLogP0.16
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (CID 123189604) is N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is O=C(NCC(F)F)c1cc(CO)on1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FVVGTIAOKYMCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c8-6(9)2-10-7(13)5-1-4(3-12)14-11-5/h1,6,12H,2-3H2,(H,10,13).
What are the key properties of N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 206.15 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 123189604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).