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

C24H14Cl2F6N2O2 — CID 46841092

IUPAC5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-4H-1,2-oxazole
SMILESFC(F)(F)C1CN=C(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)c3ccccc23)O1
InChIInChI=1S/C24H14Cl2F6N2O2/c25-13-7-12(8-14(26)9-13)22(24(30,31)32)10-19(34-36-22)17-5-6-18(16-4-2-1-3-15(16)17)21-33-11-20(35-21)23(27,28)29/h1-9,20H,10-11H2
InChIKeyCVZJAKLWGZYCDZ-UHFFFAOYSA-N
MW547.28 g/mol
LogP7.44
Rot. Bonds3

About 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

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 (PubChem CID 46841092) has the molecular formula C24H14Cl2F6N2O2 and a molecular weight of 547.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-4H-1,2-oxazole
PubChem CID46841092
Molecular FormulaC24H14Cl2F6N2O2
Molecular Weight547.28 g/mol
Exact Mass546.03
IUPAC Name5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]-4H-1,2-oxazole
SMILESFC(F)(F)C1CN=C(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)c3ccccc23)O1
InChIInChI=1S/C24H14Cl2F6N2O2/c25-13-7-12(8-14(26)9-13)22(24(30,31)32)10-19(34-36-22)17-5-6-18(16-4-2-1-3-15(16)17)21-33-11-20(35-21)23(27,28)29/h1-9,20H,10-11H2
InChIKeyCVZJAKLWGZYCDZ-UHFFFAOYSA-N
XLogP7.44
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.28
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C1CN=C(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)c3ccccc23)O1.
What is the InChIKey of 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?
The InChIKey is CVZJAKLWGZYCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F6N2O2/c25-13-7-12(8-14(26)9-13)22(24(30,31)32)10-19(34-36-22)17-5-6-18(16-4-2-1-3-15(16)17)21-33-11-20(35-21)23(27,28)29/h1-9,20H,10-11H2.
What are the key properties of 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?
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 has a molecular weight of 547.28 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46841092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).