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N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide

C19H24F3N3O2 — CID 155768691

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
SMILESCCC(C)C(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(C)CC
InChIInChI=1S/C19H24F3N3O2/c1-5-12(3)17(26)25(13(4)6-2)11-14-7-9-15(10-8-14)16-23-18(27-24-16)19(20,21)22/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyDUNWRTNPEIVAGV-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.93
Rot. Bonds7

About N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide

N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide (PubChem CID 155768691) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
PubChem CID155768691
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC NameN-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
SMILESCCC(C)C(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(C)CC
InChIInChI=1S/C19H24F3N3O2/c1-5-12(3)17(26)25(13(4)6-2)11-14-7-9-15(10-8-14)16-23-18(27-24-16)19(20,21)22/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyDUNWRTNPEIVAGV-UHFFFAOYSA-N
XLogP4.93
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide?
The IUPAC name of N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide (CID 155768691) is N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide?
The canonical SMILES for N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide is CCC(C)C(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(C)CC.
What is the InChIKey of N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide?
The InChIKey is DUNWRTNPEIVAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-5-12(3)17(26)25(13(4)6-2)11-14-7-9-15(10-8-14)16-23-18(27-24-16)19(20,21)22/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide?
N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide has a molecular weight of 383.41 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide is sourced from PubChem (CID 155768691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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