N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C8H9F3N2O3 — CID 58082769

IUPACN-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCON(C)C(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c1-4-12-5(7(14)13(2)15-3)6(16-4)8(9,10)11/h1-3H3
InChIKeyXUDUXXOQMRKJSO-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.64
Rot. Bonds2

About N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 58082769) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID58082769
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC NameN-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCON(C)C(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c1-4-12-5(7(14)13(2)15-3)6(16-4)8(9,10)11/h1-3H3
InChIKeyXUDUXXOQMRKJSO-UHFFFAOYSA-N
XLogP1.64
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 58082769) is N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CON(C)C(=O)c1nc(C)oc1C(F)(F)F.
What is the InChIKey of N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XUDUXXOQMRKJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-4-12-5(7(14)13(2)15-3)6(16-4)8(9,10)11/h1-3H3.
What are the key properties of N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 238.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2-dimethyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58082769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).