2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide

C16H10Cl3F3N2O3 — CID 88924562

IUPAC2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide
SMILESCc1oc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C(N)=O
InChIInChI=1S/C16H10Cl3F3N2O3/c1-6-8(14(23)25)4-12(26-6)11-5-15(27-24-11,16(20,21)22)7-2-9(17)13(19)10(18)3-7/h2-4H,5H2,1H3,(H2,23,25)
InChIKeyDXRCGRPLDJRIRB-UHFFFAOYSA-N
MW441.62 g/mol
LogP5.23
Rot. Bonds3

About 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide

2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide (PubChem CID 88924562) has the molecular formula C16H10Cl3F3N2O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide
PubChem CID88924562
Molecular FormulaC16H10Cl3F3N2O3
Molecular Weight441.62 g/mol
Exact Mass439.97
IUPAC Name2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide
SMILESCc1oc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C(N)=O
InChIInChI=1S/C16H10Cl3F3N2O3/c1-6-8(14(23)25)4-12(26-6)11-5-15(27-24-11,16(20,21)22)7-2-9(17)13(19)10(18)3-7/h2-4H,5H2,1H3,(H2,23,25)
InChIKeyDXRCGRPLDJRIRB-UHFFFAOYSA-N
XLogP5.23
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 55.23
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 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide (CID 88924562) is 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide is Cc1oc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide?
The InChIKey is DXRCGRPLDJRIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3F3N2O3/c1-6-8(14(23)25)4-12(26-6)11-5-15(27-24-11,16(20,21)22)7-2-9(17)13(19)10(18)3-7/h2-4H,5H2,1H3,(H2,23,25).
What are the key properties of 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide?
2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide has a molecular weight of 441.62 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 88924562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).