N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide

C14H13F3N2O4 — CID 8003046

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccno1
InChIInChI=1S/C14H13F3N2O4/c1-21-6-7-22-11-3-2-9(14(15,16)17)8-10(11)19-13(20)12-4-5-18-23-12/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeySZWBVCXZWMBXGF-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 8003046) has the molecular formula C14H13F3N2O4 and a molecular weight of 330.26 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID8003046
Molecular FormulaC14H13F3N2O4
Molecular Weight330.26 g/mol
Exact Mass330.08
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccno1
InChIInChI=1S/C14H13F3N2O4/c1-21-6-7-22-11-3-2-9(14(15,16)17)8-10(11)19-13(20)12-4-5-18-23-12/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeySZWBVCXZWMBXGF-UHFFFAOYSA-N
XLogP2.97
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 8003046) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccno1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is SZWBVCXZWMBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4/c1-21-6-7-22-11-3-2-9(14(15,16)17)8-10(11)19-13(20)12-4-5-18-23-12/h2-5,8H,6-7H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 330.26 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 8003046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).