5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole

C43H69F5N6O2 — CID 158763422

IUPAC5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole
SMILESCC(C)Cc1cc(C(C)C)no1.CC(C)c1cc(C(F)(F)C2(C)CC2)on1.CC(C)c1cn(CCC(C)(C)C)nc1C(F)(F)F.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C13H21F3N2.C11H15F2NO.C10H17NO.C9H16N2/c1-9(2)10-8-18(7-6-12(3,4)5)17-11(10)13(14,15)16;1-7(2)8-6-9(15-14-8)11(12,13)10(3)4-5-10;1-7(2)5-9-6-10(8(3)4)11-12-9;1-7(2)9-5-10-11(6-9)8(3)4/h8-9H,6-7H2,1-5H3;6-7H,4-5H2,1-3H3;6-8H,5H2,1-4H3;5-8H,1-4H3
InChIKeyIOYNJTOUDWPYPT-UHFFFAOYSA-N
MW797.05 g/mol
LogP13.74
Rot. Bonds11

About 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole

5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole (PubChem CID 158763422) has the molecular formula C43H69F5N6O2 and a molecular weight of 797.05 g/mol. Its IUPAC name is 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole
PubChem CID158763422
Molecular FormulaC43H69F5N6O2
Molecular Weight797.05 g/mol
Exact Mass796.54
IUPAC Name5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole
SMILESCC(C)Cc1cc(C(C)C)no1.CC(C)c1cc(C(F)(F)C2(C)CC2)on1.CC(C)c1cn(CCC(C)(C)C)nc1C(F)(F)F.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C13H21F3N2.C11H15F2NO.C10H17NO.C9H16N2/c1-9(2)10-8-18(7-6-12(3,4)5)17-11(10)13(14,15)16;1-7(2)8-6-9(15-14-8)11(12,13)10(3)4-5-10;1-7(2)5-9-6-10(8(3)4)11-12-9;1-7(2)9-5-10-11(6-9)8(3)4/h8-9H,6-7H2,1-5H3;6-7H,4-5H2,1-3H3;6-8H,5H2,1-4H3;5-8H,1-4H3
InChIKeyIOYNJTOUDWPYPT-UHFFFAOYSA-N
XLogP13.74
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.05
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole with MolForge

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Related Compounds

3-[3-[1-(Difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole
CID 126759746
3-[2-[1-(Difluoromethyl)pyrazol-4-yl]-2-methylpropyl]-5-propan-2-yl-1,2-oxazole
CID 138603727
Bis(3,5-ditert-butyl-4-(trifluoromethyl)-1,2-oxazole);1,4-ditert-butyl-5-(trifluoromethyl)pyrazole
CID 159133581
1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)propan-2-one
CID 160044890
5-Ethyl-3-[5-(4-propan-2-ylpyrazol-1-yl)hexan-2-yl]-1,2-oxazole
CID 137414929
3,5-Di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole
CID 158039410
Methane;3-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 160246480
3-(2-Methylpropyl)-5-propan-2-yl-1,2-oxazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;4-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 161087512
Bis(5-tert-butyl-3-methyl-1,2-oxazole);4-tert-butyl-1-methylpyrazole;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;methane
CID 161480097
5-Cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 164957768
5-[(3-Bromo-1-methylpyrazol-4-yl)methyl]-3-(2,2-difluoroethyl)-1,2-oxazole;3-(2,2-difluoroethyl)-5-[(3-iodo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole;iodocopper
CID 165018765
5-Methyl-2-[2-(2-methylpyrazol-3-yl)propan-2-yl]-4-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-2-ium
CID 174332999

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole (CID 158763422) is 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole is CC(C)Cc1cc(C(C)C)no1.CC(C)c1cc(C(F)(F)C2(C)CC2)on1.CC(C)c1cn(CCC(C)(C)C)nc1C(F)(F)F.CC(C)c1cnn(C(C)C)c1.
What is the InChIKey of 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole?
The InChIKey is IOYNJTOUDWPYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2.C11H15F2NO.C10H17NO.C9H16N2/c1-9(2)10-8-18(7-6-12(3,4)5)17-11(10)13(14,15)16;1-7(2)8-6-9(15-14-8)11(12,13)10(3)4-5-10;1-7(2)5-9-6-10(8(3)4)11-12-9;1-7(2)9-5-10-11(6-9)8(3)4/h8-9H,6-7H2,1-5H3;6-7H,4-5H2,1-3H3;6-8H,5H2,1-4H3;5-8H,1-4H3.
What are the key properties of 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole?
5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole has a molecular weight of 797.05 g/mol, XLogP of 13.74, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro-(1-methylcyclopropyl)methyl]-3-propan-2-yl-1,2-oxazole;1-(3,3-dimethylbutyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1,4-di(propan-2-yl)pyrazole;5-(2-methylpropyl)-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 158763422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).