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

C21H17F6N3O3 — CID 10140239

IUPACN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1onc(-c2ccncc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H17F6N3O3/c1-11(2)17(31)29-18-15(16(30-33-18)13-7-9-28-10-8-13)12-3-5-14(6-4-12)19(32,20(22,23)24)21(25,26)27/h3-11,32H,1-2H3,(H,29,31)
InChIKeyIWQQZYFGWXSJBA-UHFFFAOYSA-N
MW473.37 g/mol
LogP5.31
Rot. Bonds5

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

N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide (PubChem CID 10140239) has the molecular formula C21H17F6N3O3 and a molecular weight of 473.37 g/mol. Its IUPAC name is N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide
PubChem CID10140239
Molecular FormulaC21H17F6N3O3
Molecular Weight473.37 g/mol
Exact Mass473.12
IUPAC NameN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1onc(-c2ccncc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H17F6N3O3/c1-11(2)17(31)29-18-15(16(30-33-18)13-7-9-28-10-8-13)12-3-5-14(6-4-12)19(32,20(22,23)24)21(25,26)27/h3-11,32H,1-2H3,(H,29,31)
InChIKeyIWQQZYFGWXSJBA-UHFFFAOYSA-N
XLogP5.31
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.37
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide (CID 10140239) is N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1onc(-c2ccncc2)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-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide?
The InChIKey is IWQQZYFGWXSJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F6N3O3/c1-11(2)17(31)29-18-15(16(30-33-18)13-7-9-28-10-8-13)12-3-5-14(6-4-12)19(32,20(22,23)24)21(25,26)27/h3-11,32H,1-2H3,(H,29,31).
What are the key properties of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide?
N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide has a molecular weight of 473.37 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-pyridin-4-yl-1,2-oxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 10140239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).