4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide

C21H15F3N2O2 — CID 126500090

IUPAC4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(C2=NOC(c3ccccc3)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)20(13-6-2-1-3-7-13)12-18(26-28-20)16-10-11-17(19(25)27)15-9-5-4-8-14(15)16/h1-11H,12H2,(H2,25,27)
InChIKeySZSMXNJQDIZHOF-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.52
Rot. Bonds3

About 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide

4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide (PubChem CID 126500090) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
PubChem CID126500090
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(C2=NOC(c3ccccc3)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)20(13-6-2-1-3-7-13)12-18(26-28-20)16-10-11-17(19(25)27)15-9-5-4-8-14(15)16/h1-11H,12H2,(H2,25,27)
InChIKeySZSMXNJQDIZHOF-UHFFFAOYSA-N
XLogP4.52
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-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 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide (CID 126500090) is 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide is NC(=O)c1ccc(C2=NOC(c3ccccc3)(C(F)(F)F)C2)c2ccccc12.
What is the InChIKey of 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is SZSMXNJQDIZHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)20(13-6-2-1-3-7-13)12-18(26-28-20)16-10-11-17(19(25)27)15-9-5-4-8-14(15)16/h1-11H,12H2,(H2,25,27).
What are the key properties of 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide?
4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 126500090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).