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

C23H13Cl2F3N2O3 — CID 68513750

IUPAC2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)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/h1-9H,10-11H2
InChIKeyNOJRBYNLWRDGPF-UHFFFAOYSA-N
MW493.27 g/mol
LogP6.03
Rot. Bonds3

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

2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one (PubChem CID 68513750) 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)-4H-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)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one
PubChem CID68513750
Molecular FormulaC23H13Cl2F3N2O3
Molecular Weight493.27 g/mol
Exact Mass492.03
IUPAC Name2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)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/h1-9H,10-11H2
InChIKeyNOJRBYNLWRDGPF-UHFFFAOYSA-N
XLogP6.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.27
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(3,5-Dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]naphthalen-1-yl]methyl acetate
CID 58092093
5-(3,5-dichlorophenyl)-3-(4-methylnaphthalen-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 68518336
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
5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-4H-1,2-oxazole
CID 46841092
5-(3,5-dichlorophenyl)-3-(3-methylnaphthalen-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 159608638

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-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)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one (CID 68513750) is 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-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)-4H-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)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one is O=C1CN=C(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)c3ccccc23)O1.
What is the InChIKey of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one?
The InChIKey is NOJRBYNLWRDGPF-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/h1-9H,10-11H2.
What are the key properties of 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one?
2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-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 6.03, 3 rotatable bonds, 0 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)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 68513750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).