N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide

C20H22F6N2O3 — CID 11712118

IUPACN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1onc(C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C20H22F6N2O3/c1-4-5-6-14(29)27-17-15(16(11(2)3)28-31-17)12-7-9-13(10-8-12)18(30,19(21,22)23)20(24,25)26/h7-11,30H,4-6H2,1-3H3,(H,27,29)
InChIKeyAITHMULMPIQCKA-UHFFFAOYSA-N
MW452.40 g/mol
LogP5.91
Rot. Bonds7

About N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide

N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide (PubChem CID 11712118) has the molecular formula C20H22F6N2O3 and a molecular weight of 452.40 g/mol. Its IUPAC name is N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide
PubChem CID11712118
Molecular FormulaC20H22F6N2O3
Molecular Weight452.40 g/mol
Exact Mass452.15
IUPAC NameN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1onc(C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C20H22F6N2O3/c1-4-5-6-14(29)27-17-15(16(11(2)3)28-31-17)12-7-9-13(10-8-12)18(30,19(21,22)23)20(24,25)26/h7-11,30H,4-6H2,1-3H3,(H,27,29)
InChIKeyAITHMULMPIQCKA-UHFFFAOYSA-N
XLogP5.91
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.40
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide?
The IUPAC name of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide (CID 11712118) is N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide.
What is the SMILES notation for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide?
The canonical SMILES for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide is CCCCC(=O)Nc1onc(C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide?
The InChIKey is AITHMULMPIQCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F6N2O3/c1-4-5-6-14(29)27-17-15(16(11(2)3)28-31-17)12-7-9-13(10-8-12)18(30,19(21,22)23)20(24,25)26/h7-11,30H,4-6H2,1-3H3,(H,27,29).
What are the key properties of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide?
N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide has a molecular weight of 452.40 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]pentanamide is sourced from PubChem (CID 11712118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).