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

C14H17N3O2 — CID 143877565

IUPACN-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
SMILESCCCC(=O)NCc1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C14H17N3O2/c1-3-5-13(18)15-9-11-6-4-7-12(8-11)14-16-10(2)19-17-14/h4,6-8H,3,5,9H2,1-2H3,(H,15,18)
InChIKeySURNIAMFRSNNJP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.46
Rot. Bonds5

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

N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide (PubChem CID 143877565) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
PubChem CID143877565
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
SMILESCCCC(=O)NCc1cccc(-c2noc(C)n2)c1
InChIInChI=1S/C14H17N3O2/c1-3-5-13(18)15-9-11-6-4-7-12(8-11)14-16-10(2)19-17-14/h4,6-8H,3,5,9H2,1-2H3,(H,15,18)
InChIKeySURNIAMFRSNNJP-UHFFFAOYSA-N
XLogP2.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877601
2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine
CID 11149259
3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 58044592
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
3-[(butanoylamino)methyl]benzoic acid
CID 60895851
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 158020415
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91780894
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471451

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide?
The IUPAC name of N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide (CID 143877565) is N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide.
What is the SMILES notation for N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide?
The canonical SMILES for N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide is CCCC(=O)NCc1cccc(-c2noc(C)n2)c1.
What is the InChIKey of N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide?
The InChIKey is SURNIAMFRSNNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-5-13(18)15-9-11-6-4-7-12(8-11)14-16-10(2)19-17-14/h4,6-8H,3,5,9H2,1-2H3,(H,15,18).
What are the key properties of N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide?
N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 143877565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).