N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide

C20H20F4N4O3 — CID 53259018

IUPACN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESCC(C)(CNC(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H20F4N4O3/c1-19(2,14-10-30-17(26-14)12-6-8-13(21)9-7-12)11-25-16(29)5-3-4-15-27-18(31-28-15)20(22,23)24/h6-10H,3-5,11H2,1-2H3,(H,25,29)
InChIKeyAZJJVKYZKIMORV-UHFFFAOYSA-N
MW440.40 g/mol
LogP4.30
Rot. Bonds8

About N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (PubChem CID 53259018) has the molecular formula C20H20F4N4O3 and a molecular weight of 440.40 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
PubChem CID53259018
Molecular FormulaC20H20F4N4O3
Molecular Weight440.40 g/mol
Exact Mass440.15
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide
SMILESCC(C)(CNC(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H20F4N4O3/c1-19(2,14-10-30-17(26-14)12-6-8-13(21)9-7-12)11-25-16(29)5-3-4-15-27-18(31-28-15)20(22,23)24/h6-10H,3-5,11H2,1-2H3,(H,25,29)
InChIKeyAZJJVKYZKIMORV-UHFFFAOYSA-N
XLogP4.30
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide (CID 53259018) is N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is CC(C)(CNC(=O)CCCc1noc(C(F)(F)F)n1)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
The InChIKey is AZJJVKYZKIMORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N4O3/c1-19(2,14-10-30-17(26-14)12-6-8-13(21)9-7-12)11-25-16(29)5-3-4-15-27-18(31-28-15)20(22,23)24/h6-10H,3-5,11H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide?
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide has a molecular weight of 440.40 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanamide is sourced from PubChem (CID 53259018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).