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

C17H15F3N2O3 — CID 16682021

IUPACN-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)o1
InChIInChI=1S/C17H15F3N2O3/c1-10-2-7-13(24-10)9-21-16(23)15-8-14(22-25-15)11-3-5-12(6-4-11)17(18,19)20/h2-7,15H,8-9H2,1H3,(H,21,23)
InChIKeyONFOUFXEFHSZIX-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.42
Rot. Bonds4

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

N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16682021) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16682021
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)o1
InChIInChI=1S/C17H15F3N2O3/c1-10-2-7-13(24-10)9-21-16(23)15-8-14(22-25-15)11-3-5-12(6-4-11)17(18,19)20/h2-7,15H,8-9H2,1H3,(H,21,23)
InChIKeyONFOUFXEFHSZIX-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16682021) is N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(CNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ONFOUFXEFHSZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-10-2-7-13(24-10)9-21-16(23)15-8-14(22-25-15)11-3-5-12(6-4-11)17(18,19)20/h2-7,15H,8-9H2,1H3,(H,21,23).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16682021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).