N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide

C19H13Cl3F4N2O2 — CID 53476971

IUPACN-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1F
InChIInChI=1S/C19H13Cl3F4N2O2/c1-9(29)27-8-11-4-10(2-3-15(11)23)16-7-18(30-28-16,19(24,25)26)12-5-13(20)17(22)14(21)6-12/h2-6H,7-8H2,1H3,(H,27,29)
InChIKeyBGNWBTIAWKFDMS-UHFFFAOYSA-N
MW483.68 g/mol
LogP6.00
Rot. Bonds4

About N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide

N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide (PubChem CID 53476971) has the molecular formula C19H13Cl3F4N2O2 and a molecular weight of 483.68 g/mol. Its IUPAC name is N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide
PubChem CID53476971
Molecular FormulaC19H13Cl3F4N2O2
Molecular Weight483.68 g/mol
Exact Mass482.00
IUPAC NameN-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1F
InChIInChI=1S/C19H13Cl3F4N2O2/c1-9(29)27-8-11-4-10(2-3-15(11)23)16-7-18(30-28-16,19(24,25)26)12-5-13(20)17(22)14(21)6-12/h2-6H,7-8H2,1H3,(H,27,29)
InChIKeyBGNWBTIAWKFDMS-UHFFFAOYSA-N
XLogP6.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide 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-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide (CID 53476971) is N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide is CC(=O)NCc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
The InChIKey is BGNWBTIAWKFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3F4N2O2/c1-9(29)27-8-11-4-10(2-3-15(11)23)16-7-18(30-28-16,19(24,25)26)12-5-13(20)17(22)14(21)6-12/h2-6H,7-8H2,1H3,(H,27,29).
What are the key properties of N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide has a molecular weight of 483.68 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 53476971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).