2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one

C23H13Cl2F3N2O3 — CID 91272746

IUPAC2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2ccc(C3=CC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)ON3)c3ccccc23)O1
InChIInChI=1S/C23H13Cl2F3N2O3/c24-13-7-12(8-14(25)9-13)22(23(26,27)28)10-19(30-33-22)17-5-6-18(21-29-11-20(31)32-21)16-4-2-1-3-15(16)17/h1-10,30H,11H2
InChIKeyCWVJOYKXOBMONG-UHFFFAOYSA-N
MW493.27 g/mol
LogP5.78
Rot. Bonds3

About 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one

2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one (PubChem CID 91272746) has the molecular formula C23H13Cl2F3N2O3 and a molecular weight of 493.27 g/mol. Its IUPAC name is 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one
PubChem CID91272746
Molecular FormulaC23H13Cl2F3N2O3
Molecular Weight493.27 g/mol
Exact Mass492.03
IUPAC Name2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2ccc(C3=CC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)ON3)c3ccccc23)O1
InChIInChI=1S/C23H13Cl2F3N2O3/c24-13-7-12(8-14(25)9-13)22(23(26,27)28)10-19(30-33-22)17-5-6-18(21-29-11-20(31)32-21)16-4-2-1-3-15(16)17/h1-10,30H,11H2
InChIKeyCWVJOYKXOBMONG-UHFFFAOYSA-N
XLogP5.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.27
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one (CID 91272746) is 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one is O=C1CN=C(c2ccc(C3=CC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)ON3)c3ccccc23)O1.
What is the InChIKey of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one?
The InChIKey is CWVJOYKXOBMONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2F3N2O3/c24-13-7-12(8-14(25)9-13)22(23(26,27)28)10-19(30-33-22)17-5-6-18(21-29-11-20(31)32-21)16-4-2-1-3-15(16)17/h1-10,30H,11H2.
What are the key properties of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one?
2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one has a molecular weight of 493.27 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 91272746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).