3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide

C7H8F2N2O4 — CID 156895400

IUPAC3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide
SMILESCON(C)C(=O)c1cc(OC(F)F)no1
InChIInChI=1S/C7H8F2N2O4/c1-11(13-2)6(12)4-3-5(10-15-4)14-7(8)9/h3,7H,1-2H3
InChIKeyLVRTZIQSPPNEBM-UHFFFAOYSA-N
MW222.15 g/mol
LogP0.91
Rot. Bonds4

About 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide

3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 156895400) has the molecular formula C7H8F2N2O4 and a molecular weight of 222.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID156895400
Molecular FormulaC7H8F2N2O4
Molecular Weight222.15 g/mol
Exact Mass222.05
IUPAC Name3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide
SMILESCON(C)C(=O)c1cc(OC(F)F)no1
InChIInChI=1S/C7H8F2N2O4/c1-11(13-2)6(12)4-3-5(10-15-4)14-7(8)9/h3,7H,1-2H3
InChIKeyLVRTZIQSPPNEBM-UHFFFAOYSA-N
XLogP0.91
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide (CID 156895400) is 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide is CON(C)C(=O)c1cc(OC(F)F)no1.
What is the InChIKey of 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is LVRTZIQSPPNEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O4/c1-11(13-2)6(12)4-3-5(10-15-4)14-7(8)9/h3,7H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 222.15 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-methoxy-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 156895400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).