2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole

C28H24F6N6O — CID 177181298

IUPAC2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(-c2nnc(-c3ccc(-c4c(C(F)(F)F)ncn4C(C)C)cc3)o2)cc1
InChIInChI=1S/C28H24F6N6O/c1-15(2)39-13-21(27(29,30)31)36-24(39)18-7-11-20(12-8-18)26-38-37-25(41-26)19-9-5-17(6-10-19)22-23(28(32,33)34)35-14-40(22)16(3)4/h5-16H,1-4H3
InChIKeyIVIDISAOLHWQAH-UHFFFAOYSA-N
MW574.53 g/mol
LogP8.33
Rot. Bonds6

About 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole

2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 177181298) has the molecular formula C28H24F6N6O and a molecular weight of 574.53 g/mol. Its IUPAC name is 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole
PubChem CID177181298
Molecular FormulaC28H24F6N6O
Molecular Weight574.53 g/mol
Exact Mass574.19
IUPAC Name2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(-c2nnc(-c3ccc(-c4c(C(F)(F)F)ncn4C(C)C)cc3)o2)cc1
InChIInChI=1S/C28H24F6N6O/c1-15(2)39-13-21(27(29,30)31)36-24(39)18-7-11-20(12-8-18)26-38-37-25(41-26)19-9-5-17(6-10-19)22-23(28(32,33)34)35-14-40(22)16(3)4/h5-16H,1-4H3
InChIKeyIVIDISAOLHWQAH-UHFFFAOYSA-N
XLogP8.33
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.53
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

N-[(1r)-1-(3,4'-Difluorobiphenyl-4-Yl)-2-(1h-Imidazol-1-Yl)ethyl]-4-(5-Phenyl-1,3,4-Oxadiazol-2-Yl)benzamide
CID 119081677
N-[(1R)-1-[2,6-difluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 145982702
5-[4-(1,5-dimethylpyrazol-4-yl)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 156596357
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 118723483
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
CID 118723494
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164609687
N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-[(3-phenylimidazo[1,2-a]pyridin-6-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 164610126
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-4-(2,3,5-trimethylimidazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164610821
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-(4-phenylphenyl)-1,3,4-oxadiazol-2-amine
CID 164612148
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[4-(2-methyl-3-pyridinyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164613928
5-[2-fluoro-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164615545
5-[4-(2-fluorophenyl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164618499

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole (CID 177181298) is 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole is CC(C)n1cc(C(F)(F)F)nc1-c1ccc(-c2nnc(-c3ccc(-c4c(C(F)(F)F)ncn4C(C)C)cc3)o2)cc1.
What is the InChIKey of 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is IVIDISAOLHWQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F6N6O/c1-15(2)39-13-21(27(29,30)31)36-24(39)18-7-11-20(12-8-18)26-38-37-25(41-26)19-9-5-17(6-10-19)22-23(28(32,33)34)35-14-40(22)16(3)4/h5-16H,1-4H3.
What are the key properties of 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole?
2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 574.53 g/mol, XLogP of 8.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-5-[4-[3-propan-2-yl-5-(trifluoromethyl)imidazol-4-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 177181298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).