1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine

C15H26F3N3O3S — CID 118486682

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine
SMILESCC(C)(C)c1cc(NNCC(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
InChIInChI=1S/C15H26F3N3O3S/c1-13(2,3)11-9-12(24-21-11)20-19-10-14(4,5)25(22,23)8-6-7-15(16,17)18/h9,19-20H,6-8,10H2,1-5H3
InChIKeyUAIXMHRYSOKCMR-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.42
Rot. Bonds8

About 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine

1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine (PubChem CID 118486682) has the molecular formula C15H26F3N3O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine
PubChem CID118486682
Molecular FormulaC15H26F3N3O3S
Molecular Weight385.45 g/mol
Exact Mass385.16
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine
SMILESCC(C)(C)c1cc(NNCC(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
InChIInChI=1S/C15H26F3N3O3S/c1-13(2,3)11-9-12(24-21-11)20-19-10-14(4,5)25(22,23)8-6-7-15(16,17)18/h9,19-20H,6-8,10H2,1-5H3
InChIKeyUAIXMHRYSOKCMR-UHFFFAOYSA-N
XLogP3.42
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[2-(4,4-difluoropentylsulfonyl)-2-methylpropyl]amino]-1,2-oxazol-3-yl]-2-methylpropan-1-ol
CID 123290411
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 45110253
[2-methyl-2-[5-[[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propyl] 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanoate
CID 59253223
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-chloromethanesulfonamide
CID 63665551
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
7,7,7-trifluoro-N-[3-[2-(2-methoxyethoxy)propan-2-yl]-1,2-oxazol-5-yl]-2,2-dimethylheptanamide
CID 58297243
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959
2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 87112831
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
CID 59703974
2,2,2-trichloroethyl N-(3-tert-butyl-1,2-oxazol-5-yl)carbamate
CID 66728713

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine (CID 118486682) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine is CC(C)(C)c1cc(NNCC(C)(C)S(=O)(=O)CCCC(F)(F)F)on1.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine?
The InChIKey is UAIXMHRYSOKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O3S/c1-13(2,3)11-9-12(24-21-11)20-19-10-14(4,5)25(22,23)8-6-7-15(16,17)18/h9,19-20H,6-8,10H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine?
1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine has a molecular weight of 385.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propyl]hydrazine is sourced from PubChem (CID 118486682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).