N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

C22H25N3O2 — CID 55686944

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H25N3O2/c1-15-12-13-16(2)19(14-15)17(3)23-20(26)10-7-11-21-24-25-22(27-21)18-8-5-4-6-9-18/h4-6,8-9,12-14,17H,7,10-11H2,1-3H3,(H,23,26)
InChIKeyGNBNDYVVKMLPMH-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.55
Rot. Bonds7

About N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 55686944) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
PubChem CID55686944
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H25N3O2/c1-15-12-13-16(2)19(14-15)17(3)23-20(26)10-7-11-21-24-25-22(27-21)18-8-5-4-6-9-18/h4-6,8-9,12-14,17H,7,10-11H2,1-3H3,(H,23,26)
InChIKeyGNBNDYVVKMLPMH-UHFFFAOYSA-N
XLogP4.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 42960615
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 39715287
N-(1-hydroxypropan-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 110890211
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 39705619
N-[1-(2,4-difluorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017196
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645445
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (CID 55686944) is N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is Cc1ccc(C)c(C(C)NC(=O)CCCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The InChIKey is GNBNDYVVKMLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-12-13-16(2)19(14-15)17(3)23-20(26)10-7-11-21-24-25-22(27-21)18-8-5-4-6-9-18/h4-6,8-9,12-14,17H,7,10-11H2,1-3H3,(H,23,26).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 363.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 55686944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).