2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide

C26H20F3N3O3 — CID 42406464

IUPAC2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide
SMILESCc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)c1c(F)ccc(F)c1F
InChIInChI=1S/C26H20F3N3O3/c1-15-21(14-30-25(34)23-19(27)11-12-20(28)24(23)29)32-26(35-15)17-7-9-18(10-8-17)31-22(33)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,30,34)(H,31,33)
InChIKeyCNIMUEFVYSRUTO-UHFFFAOYSA-N
MW479.46 g/mol
LogP5.18
Rot. Bonds7

About 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide

2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide (PubChem CID 42406464) has the molecular formula C26H20F3N3O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide
PubChem CID42406464
Molecular FormulaC26H20F3N3O3
Molecular Weight479.46 g/mol
Exact Mass479.15
IUPAC Name2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide
SMILESCc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)c1c(F)ccc(F)c1F
InChIInChI=1S/C26H20F3N3O3/c1-15-21(14-30-25(34)23-19(27)11-12-20(28)24(23)29)32-26(35-15)17-7-9-18(10-8-17)31-22(33)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,30,34)(H,31,33)
InChIKeyCNIMUEFVYSRUTO-UHFFFAOYSA-N
XLogP5.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide 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 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide?
The IUPAC name of 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide (CID 42406464) is 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide.
What is the SMILES notation for 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide?
The canonical SMILES for 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide is Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)c1c(F)ccc(F)c1F.
What is the InChIKey of 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide?
The InChIKey is CNIMUEFVYSRUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O3/c1-15-21(14-30-25(34)23-19(27)11-12-20(28)24(23)29)32-26(35-15)17-7-9-18(10-8-17)31-22(33)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide?
2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide has a molecular weight of 479.46 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 42406464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).