1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C28H19ClF9N3O3 — CID 118046955

About 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 118046955) has the molecular formula C28H19ClF9N3O3 and a molecular weight of 651.91 g/mol. Its IUPAC name is 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

• Compound Name: 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
• PubChem CID: 118046955
• Molecular Formula: C28H19ClF9N3O3
• Molecular Weight: 651.91 g/mol
• Exact Mass: 651.10
• IUPAC Name: 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
• SMILES: O=C1CN(C(=O)c2ccc(C3=NOC(c4cc(Cl)cc(C(F)(F)F)c4)(C(F)(F)F)C3)c3ccccc23)CN1CCC(F)(F)F
• InChI: InChI=1S/C28H19ClF9N3O3/c29-17-10-15(9-16(11-17)27(33,34)35)25(28(36,37)38)12-22(39-44-25)20-5-6-21(19-4-2-1-3-18(19)20)24(43)41-13-23(42)40(14-41)8-7-26(30,31)32/h1-6,9-11H,7-8,12-14H2
• InChIKey: XKUOSZRTDCFNKL-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 62.21 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.91
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?

The IUPAC name of 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 118046955) is 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

What is the SMILES notation for 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?

The canonical SMILES for 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is O=C1CN(C(=O)c2ccc(C3=NOC(c4cc(Cl)cc(C(F)(F)F)c4)(C(F)(F)F)C3)c3ccccc23)CN1CCC(F)(F)F.

What is the InChIKey of 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?

The InChIKey is XKUOSZRTDCFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClF9N3O3/c29-17-10-15(9-16(11-17)27(33,34)35)25(28(36,37)38)12-22(39-44-25)20-5-6-21(19-4-2-1-3-18(19)20)24(43)41-13-23(42)40(14-41)8-7-26(30,31)32/h1-6,9-11H,7-8,12-14H2.

What are the key properties of 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?

1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 651.91 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 118046955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).