5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole

C18H9Cl2F6N5O — CID 91363774

IUPAC5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole
SMILESFC(F)(F)c1nnnn1-c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C18H9Cl2F6N5O/c19-11-5-10(6-12(20)7-11)16(18(24,25)26)8-14(28-32-16)9-1-3-13(4-2-9)31-15(17(21,22)23)27-29-30-31/h1-8,28H
InChIKeyPYGNWRFVWBFDBJ-UHFFFAOYSA-N
MW496.20 g/mol
LogP5.32
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole

5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole (PubChem CID 91363774) has the molecular formula C18H9Cl2F6N5O and a molecular weight of 496.20 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole
PubChem CID91363774
Molecular FormulaC18H9Cl2F6N5O
Molecular Weight496.20 g/mol
Exact Mass495.01
IUPAC Name5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole
SMILESFC(F)(F)c1nnnn1-c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C18H9Cl2F6N5O/c19-11-5-10(6-12(20)7-11)16(18(24,25)26)8-14(28-32-16)9-1-3-13(4-2-9)31-15(17(21,22)23)27-29-30-31/h1-8,28H
InChIKeyPYGNWRFVWBFDBJ-UHFFFAOYSA-N
XLogP5.32
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.20
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole (CID 91363774) is 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole is FC(F)(F)c1nnnn1-c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)cc1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole?
The InChIKey is PYGNWRFVWBFDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F6N5O/c19-11-5-10(6-12(20)7-11)16(18(24,25)26)8-14(28-32-16)9-1-3-13(4-2-9)31-15(17(21,22)23)27-29-30-31/h1-8,28H.
What are the key properties of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole?
5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole has a molecular weight of 496.20 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-3-[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-2H-1,2-oxazole is sourced from PubChem (CID 91363774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).