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

C25H24F6N2O3 — CID 10164669

IUPACN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1onc(C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C25H24F6N2O3/c1-4-18(15-8-6-5-7-9-15)21(34)32-22-19(20(14(2)3)33-36-22)16-10-12-17(13-11-16)23(35,24(26,27)28)25(29,30)31/h5-14,18,35H,4H2,1-3H3,(H,32,34)
InChIKeyXBRLJCMSNZNYPV-UHFFFAOYSA-N
MW514.47 g/mol
LogP6.91
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]-2-phenylbutanamide

N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]-2-phenylbutanamide (PubChem CID 10164669) has the molecular formula C25H24F6N2O3 and a molecular weight of 514.47 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]-2-phenylbutanamide.

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]-2-phenylbutanamide
PubChem CID10164669
Molecular FormulaC25H24F6N2O3
Molecular Weight514.47 g/mol
Exact Mass514.17
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]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1onc(C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C25H24F6N2O3/c1-4-18(15-8-6-5-7-9-15)21(34)32-22-19(20(14(2)3)33-36-22)16-10-12-17(13-11-16)23(35,24(26,27)28)25(29,30)31/h5-14,18,35H,4H2,1-3H3,(H,32,34)
InChIKeyXBRLJCMSNZNYPV-UHFFFAOYSA-N
XLogP6.91
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.47
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 16445174
N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
CID 7711262
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 7693891
2-(4-(5-Amino-3-isopropylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 9969262
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-phenylisoxazol-5-yl)isobutyramide
CID 10116214
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-(pyridin-4-yl)isoxazol-5-yl)isobutyramide
CID 10140239
2-(4-(5-Amino-3-ethylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10155073
3-(5-Amino-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)isoxazol-3-yl)propan-1-ol
CID 10156838
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)isobutyramide
CID 10158463
2-[4-(5-Amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10199888
4-cyano-N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-isopropylisoxazol-5-yl)benzamide
CID 10207019
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-isopropylisoxazol-5-yl)isonicotinamide
CID 10227245

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]-2-phenylbutanamide?
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]-2-phenylbutanamide (CID 10164669) 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]-2-phenylbutanamide.
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]-2-phenylbutanamide?
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]-2-phenylbutanamide is CCC(C(=O)Nc1onc(C(C)C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1.
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]-2-phenylbutanamide?
The InChIKey is XBRLJCMSNZNYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F6N2O3/c1-4-18(15-8-6-5-7-9-15)21(34)32-22-19(20(14(2)3)33-36-22)16-10-12-17(13-11-16)23(35,24(26,27)28)25(29,30)31/h5-14,18,35H,4H2,1-3H3,(H,32,34).
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]-2-phenylbutanamide?
N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propan-2-yl-1,2-oxazol-5-yl]-2-phenylbutanamide has a molecular weight of 514.47 g/mol, XLogP of 6.91, 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]-2-phenylbutanamide is sourced from PubChem (CID 10164669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).