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

C23H24F3N3O2 — CID 134213043

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O2/c1-16(2)29(15-20-27-22(28-31-20)18-8-4-3-5-9-18)21(30)10-6-7-17-11-13-19(14-12-17)23(24,25)26/h3-5,8-9,11-14,16H,6-7,10,15H2,1-2H3
InChIKeyXMEVANFPFOKMPJ-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.52
Rot. Bonds8

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

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 134213043) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID134213043
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O2/c1-16(2)29(15-20-27-22(28-31-20)18-8-4-3-5-9-18)21(30)10-6-7-17-11-13-19(14-12-17)23(24,25)26/h3-5,8-9,11-14,16H,6-7,10,15H2,1-2H3
InChIKeyXMEVANFPFOKMPJ-UHFFFAOYSA-N
XLogP5.52
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 1250310
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-phenylphenyl)-N-propan-2-ylacetamide
CID 17020197
2-(4-butylphenyl)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 154752705
5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 2055188
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-phenylphenoxy)-N-propan-2-ylacetamide
CID 71663676
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
N-ethyl-3-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 8836343
3-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100548168
2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2984807
N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288859

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide (CID 134213043) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is XMEVANFPFOKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-16(2)29(15-20-27-22(28-31-20)18-8-4-3-5-9-18)21(30)10-6-7-17-11-13-19(14-12-17)23(24,25)26/h3-5,8-9,11-14,16H,6-7,10,15H2,1-2H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 431.46 g/mol, XLogP of 5.52, 8 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-4-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 134213043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).