N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide

C14H12F3N3O3 — CID 24856178

IUPACN,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)no1
InChIInChI=1S/C14H12F3N3O3/c1-7-5-10(19-23-7)14(22)20(2)6-11(21)18-9-4-3-8(15)12(16)13(9)17/h3-5H,6H2,1-2H3,(H,18,21)
InChIKeyCKUJXYCGVXCMIZ-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.11
Rot. Bonds4

About N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide

N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24856178) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24856178
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC NameN,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)no1
InChIInChI=1S/C14H12F3N3O3/c1-7-5-10(19-23-7)14(22)20(2)6-11(21)18-9-4-3-8(15)12(16)13(9)17/h3-5H,6H2,1-2H3,(H,18,21)
InChIKeyCKUJXYCGVXCMIZ-UHFFFAOYSA-N
XLogP2.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide (CID 24856178) is N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)no1.
What is the InChIKey of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CKUJXYCGVXCMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-7-5-10(19-23-7)14(22)20(2)6-11(21)18-9-4-3-8(15)12(16)13(9)17/h3-5H,6H2,1-2H3,(H,18,21).
What are the key properties of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide?
N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24856178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).