N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide

C26H22F3N3O2 — CID 5297758

IUPACN-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccccc3NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1
InChIInChI=1S/C26H22F3N3O2/c1-25(2,3)18-13-11-16(12-14-18)23-31-32-24(34-23)20-9-4-5-10-21(20)30-22(33)17-7-6-8-19(15-17)26(27,28)29/h4-15H,1-3H3,(H,30,33)
InChIKeyUMNMKJMZMQNRLI-UHFFFAOYSA-N
MW465.48 g/mol
LogP6.97
Rot. Bonds4

About N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 5297758) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID5297758
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC NameN-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccccc3NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1
InChIInChI=1S/C26H22F3N3O2/c1-25(2,3)18-13-11-16(12-14-18)23-31-32-24(34-23)20-9-4-5-10-21(20)30-22(33)17-7-6-8-19(15-17)26(27,28)29/h4-15H,1-3H3,(H,30,33)
InChIKeyUMNMKJMZMQNRLI-UHFFFAOYSA-N
XLogP6.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
CID 10200651
2-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 2799937
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
N1-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-(tert-butyl)benzamide
CID 2799995
6'-(2-Methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)spiro[cyclopentane-1,3'-indolin]-2'-one
CID 44250817
N-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2231948
2-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 2306153
N-(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl) benzamide
CID 71458829
4',4'-difluoro-6-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 44250819
N-[2-(5-Benzylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenyl]-benzamide
CID 1156646
N-[2-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 3137384
N-(3-methanimidoylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 44629612

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 5297758) is N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide is CC(C)(C)c1ccc(-c2nnc(-c3ccccc3NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1.
What is the InChIKey of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UMNMKJMZMQNRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-25(2,3)18-13-11-16(12-14-18)23-31-32-24(34-23)20-9-4-5-10-21(20)30-22(33)17-7-6-8-19(15-17)26(27,28)29/h4-15H,1-3H3,(H,30,33).
What are the key properties of N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 465.48 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 5297758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).