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

C22H22F3N3O2 — CID 71663848

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H22F3N3O2/c1-15(2)28(14-19-26-21(27-30-19)17-6-4-3-5-7-17)20(29)13-10-16-8-11-18(12-9-16)22(23,24)25/h3-9,11-12,15H,10,13-14H2,1-2H3
InChIKeyLJKJTCXOYMCIKN-UHFFFAOYSA-N
MW417.43 g/mol
LogP5.13
Rot. Bonds7

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

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 71663848) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID71663848
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H22F3N3O2/c1-15(2)28(14-19-26-21(27-30-19)17-6-4-3-5-7-17)20(29)13-10-16-8-11-18(12-9-16)22(23,24)25/h3-9,11-12,15H,10,13-14H2,1-2H3
InChIKeyLJKJTCXOYMCIKN-UHFFFAOYSA-N
XLogP5.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 71663848) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LJKJTCXOYMCIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-15(2)28(14-19-26-21(27-30-19)17-6-4-3-5-7-17)20(29)13-10-16-8-11-18(12-9-16)22(23,24)25/h3-9,11-12,15H,10,13-14H2,1-2H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 417.43 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 71663848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).