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

C20H21F3N4O3 — CID 53311652

IUPAC4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide
SMILESCC(C)(CNC(=O)CCCc1noc(C(F)F)n1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H21F3N4O3/c1-20(2,14-10-29-18(25-14)12-6-8-13(21)9-7-12)11-24-16(28)5-3-4-15-26-19(17(22)23)30-27-15/h6-10,17H,3-5,11H2,1-2H3,(H,24,28)
InChIKeyDUDSCZCQVFYDBZ-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.22
Rot. Bonds9

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

4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide (PubChem CID 53311652) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide
PubChem CID53311652
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide
SMILESCC(C)(CNC(=O)CCCc1noc(C(F)F)n1)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H21F3N4O3/c1-20(2,14-10-29-18(25-14)12-6-8-13(21)9-7-12)11-24-16(28)5-3-4-15-26-19(17(22)23)30-27-15/h6-10,17H,3-5,11H2,1-2H3,(H,24,28)
InChIKeyDUDSCZCQVFYDBZ-UHFFFAOYSA-N
XLogP4.22
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide?
The IUPAC name of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide (CID 53311652) is 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide?
The canonical SMILES for 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide is CC(C)(CNC(=O)CCCc1noc(C(F)F)n1)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide?
The InChIKey is DUDSCZCQVFYDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-20(2,14-10-29-18(25-14)12-6-8-13(21)9-7-12)11-24-16(28)5-3-4-15-26-19(17(22)23)30-27-15/h6-10,17H,3-5,11H2,1-2H3,(H,24,28).
What are the key properties of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide?
4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide has a molecular weight of 422.41 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]butanamide is sourced from PubChem (CID 53311652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).