N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H15F3N2O3 — CID 23640773

IUPACN-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)C1CC(c2ccc(C(F)(F)F)cc2)=NO1
InChIInChI=1S/C14H15F3N2O3/c1-21-7-6-18-13(20)12-8-11(19-22-12)9-2-4-10(5-3-9)14(15,16)17/h2-5,12H,6-8H2,1H3,(H,18,20)
InChIKeyFZDVYKVVUSTJLB-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.96
Rot. Bonds5

About N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 23640773) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID23640773
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC NameN-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)C1CC(c2ccc(C(F)(F)F)cc2)=NO1
InChIInChI=1S/C14H15F3N2O3/c1-21-7-6-18-13(20)12-8-11(19-22-12)9-2-4-10(5-3-9)14(15,16)17/h2-5,12H,6-8H2,1H3,(H,18,20)
InChIKeyFZDVYKVVUSTJLB-UHFFFAOYSA-N
XLogP1.96
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 23640773) is N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COCCNC(=O)C1CC(c2ccc(C(F)(F)F)cc2)=NO1.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FZDVYKVVUSTJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-21-7-6-18-13(20)12-8-11(19-22-12)9-2-4-10(5-3-9)14(15,16)17/h2-5,12H,6-8H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 23640773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).