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

C13H15N3O2 — CID 7678267

IUPAC3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1nonc1-c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-9(2)8-11(17)14-13-12(15-18-16-13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16,17)
InChIKeyOPWQLJSPEFMLBD-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.72
Rot. Bonds4

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

3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide (PubChem CID 7678267) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide
PubChem CID7678267
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1nonc1-c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-9(2)8-11(17)14-13-12(15-18-16-13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16,17)
InChIKeyOPWQLJSPEFMLBD-UHFFFAOYSA-N
XLogP2.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenyl-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 1108413
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
CID 19244562
3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide
CID 110402038
(2R)-2-(2,3-dimethylphenoxy)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)propanamide
CID 40871308
(3S)-4,4,4-trifluoro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-3-phenylbutanamide
CID 95569006
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide
CID 43854828
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 7711361
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3-methylbutanamide
CID 42687627
(E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide
CID 7693375
N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 7708593

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide?
The IUPAC name of 3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide (CID 7678267) is 3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide is CC(C)CC(=O)Nc1nonc1-c1ccccc1.
What is the InChIKey of 3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide?
The InChIKey is OPWQLJSPEFMLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)8-11(17)14-13-12(15-18-16-13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16,17).
What are the key properties of 3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide?
3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide has a molecular weight of 245.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)butanamide is sourced from PubChem (CID 7678267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).