4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide

C28H19F12N3O3 — CID 25154400

IUPAC4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide
SMILESCC(NC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12)C(=O)NCC(F)(F)F
InChIInChI=1S/C28H19F12N3O3/c1-13(22(44)41-12-25(29,30)31)42-23(45)20-7-6-19(17-4-2-3-5-18(17)20)21-11-24(46-43-21,28(38,39)40)14-8-15(26(32,33)34)10-16(9-14)27(35,36)37/h2-10,13H,11-12H2,1H3,(H,41,44)(H,42,45)
InChIKeyINGURRUIECMLFY-UHFFFAOYSA-N
MW673.45 g/mol
LogP7.26
Rot. Bonds6

About 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide

4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide (PubChem CID 25154400) has the molecular formula C28H19F12N3O3 and a molecular weight of 673.45 g/mol. Its IUPAC name is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide
PubChem CID25154400
Molecular FormulaC28H19F12N3O3
Molecular Weight673.45 g/mol
Exact Mass673.12
IUPAC Name4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide
SMILESCC(NC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12)C(=O)NCC(F)(F)F
InChIInChI=1S/C28H19F12N3O3/c1-13(22(44)41-12-25(29,30)31)42-23(45)20-7-6-19(17-4-2-3-5-18(17)20)21-11-24(46-43-21,28(38,39)40)14-8-15(26(32,33)34)10-16(9-14)27(35,36)37/h2-10,13H,11-12H2,1H3,(H,41,44)(H,42,45)
InChIKeyINGURRUIECMLFY-UHFFFAOYSA-N
XLogP7.26
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.45
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide (CID 25154400) is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide is CC(NC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12)C(=O)NCC(F)(F)F.
What is the InChIKey of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide?
The InChIKey is INGURRUIECMLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F12N3O3/c1-13(22(44)41-12-25(29,30)31)42-23(45)20-7-6-19(17-4-2-3-5-18(17)20)21-11-24(46-43-21,28(38,39)40)14-8-15(26(32,33)34)10-16(9-14)27(35,36)37/h2-10,13H,11-12H2,1H3,(H,41,44)(H,42,45).
What are the key properties of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide?
4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide has a molecular weight of 673.45 g/mol, XLogP of 7.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 25154400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).