N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide

C15H19N3O2 — CID 19244563

IUPACN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1nonc1-c1cc(C)ccc1C
InChIInChI=1S/C15H19N3O2/c1-4-5-6-13(19)16-15-14(17-20-18-15)12-9-10(2)7-8-11(12)3/h7-9H,4-6H2,1-3H3,(H,16,18,19)
InChIKeyMQLUFRVIKKVLIZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.48
Rot. Bonds5

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

N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide (PubChem CID 19244563) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide
PubChem CID19244563
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1nonc1-c1cc(C)ccc1C
InChIInChI=1S/C15H19N3O2/c1-4-5-6-13(19)16-15-14(17-20-18-15)12-9-10(2)7-8-11(12)3/h7-9H,4-6H2,1-3H3,(H,16,18,19)
InChIKeyMQLUFRVIKKVLIZ-UHFFFAOYSA-N
XLogP3.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
CID 19244562
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 19244508
(E)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 19244514
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide
CID 19244494
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 7711361
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
CID 19244584
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 19244810
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-nitrobenzamide
CID 19244528
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19244778
N-(4-methylphenyl)pentanamide
CID 3662375
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide (CID 19244563) is N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide is CCCCC(=O)Nc1nonc1-c1cc(C)ccc1C.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide?
The InChIKey is MQLUFRVIKKVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-5-6-13(19)16-15-14(17-20-18-15)12-9-10(2)7-8-11(12)3/h7-9H,4-6H2,1-3H3,(H,16,18,19).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide?
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide has a molecular weight of 273.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide is sourced from PubChem (CID 19244563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).