N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide

C11H15F3N2O2 — CID 155823225

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
SMILESCC(C)(C)c1cc(NC(=O)CCC(F)(F)F)on1
InChIInChI=1S/C11H15F3N2O2/c1-10(2,3)7-6-9(18-16-7)15-8(17)4-5-11(12,13)14/h6H,4-5H2,1-3H3,(H,15,17)
InChIKeyMWNJXNVITGTQBB-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.25
Rot. Bonds3

About N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide (PubChem CID 155823225) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
PubChem CID155823225
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
SMILESCC(C)(C)c1cc(NC(=O)CCC(F)(F)F)on1
InChIInChI=1S/C11H15F3N2O2/c1-10(2,3)7-6-9(18-16-7)15-8(17)4-5-11(12,13)14/h6H,4-5H2,1-3H3,(H,15,17)
InChIKeyMWNJXNVITGTQBB-UHFFFAOYSA-N
XLogP3.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
3-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466444
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide
CID 176873409
3-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137390
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
CID 18087249
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 51248804
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105148
2-(4-aminophenyl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299010

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide (CID 155823225) is N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide is CC(C)(C)c1cc(NC(=O)CCC(F)(F)F)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide?
The InChIKey is MWNJXNVITGTQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-10(2,3)7-6-9(18-16-7)15-8(17)4-5-11(12,13)14/h6H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide has a molecular weight of 264.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 155823225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).