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

C8H9F3N2O3 — CID 81340809

IUPAC2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NOCC(F)(F)F)o1
InChIInChI=1S/C8H9F3N2O3/c1-4-6(16-5(2)12-4)7(14)13-15-3-8(9,10)11/h3H2,1-2H3,(H,13,14)
InChIKeyDJHIBNFLMNTRNL-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.52
Rot. Bonds3

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

2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide (PubChem CID 81340809) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide
PubChem CID81340809
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NOCC(F)(F)F)o1
InChIInChI=1S/C8H9F3N2O3/c1-4-6(16-5(2)12-4)7(14)13-15-3-8(9,10)11/h3H2,1-2H3,(H,13,14)
InChIKeyDJHIBNFLMNTRNL-UHFFFAOYSA-N
XLogP1.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide (CID 81340809) is 2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NOCC(F)(F)F)o1.
What is the InChIKey of 2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide?
The InChIKey is DJHIBNFLMNTRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-4-6(16-5(2)12-4)7(14)13-15-3-8(9,10)11/h3H2,1-2H3,(H,13,14).
What are the key properties of 2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide has a molecular weight of 238.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2,2,2-trifluoroethoxy)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 81340809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).