N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

C15H19N3O3 — CID 3228079

IUPACN-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCCCNC(=O)Cn1c(-c2ccc(C)cc2)noc1=O
InChIInChI=1S/C15H19N3O3/c1-3-4-9-16-13(19)10-18-14(17-21-15(18)20)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeySHWDZQOFRXGPMO-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.73
Rot. Bonds6

About N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (PubChem CID 3228079) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
PubChem CID3228079
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
SMILESCCCCNC(=O)Cn1c(-c2ccc(C)cc2)noc1=O
InChIInChI=1S/C15H19N3O3/c1-3-4-9-16-13(19)10-18-14(17-21-15(18)20)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeySHWDZQOFRXGPMO-UHFFFAOYSA-N
XLogP1.73
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide
CID 25113128
N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 25113617
1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
CID 25113616
1-[(2R)-2-aminobutanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 44237083
3-{4-[(4-Octadecylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135899009
D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
CID 25220914
N-Benzyl-2-(5-oxo-3-phenyl-[1,2,4]oxadiazol-4-yl)-acetamide
CID 647045
H-D-Ala-Pro-NHBn(4-amidino).HCl
CID 118736095
H-D-Abu-Pro-NHBn(4-amidino).HCl
CID 118736274
3-[4-[(4-octadecyl-2-oxopiperazin-1-yl)methyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136086768
2-phenyl-4,5-dihydro-1H-imidazol-5-one
CID 2749590
(S)-N-(4-carbamimidoylbenzyl)-1-propionylpyrrolidine-2-carboxamide hydrochloride
CID 25147483

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The IUPAC name of N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide (CID 3228079) is N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide.
What is the SMILES notation for N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The canonical SMILES for N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is CCCCNC(=O)Cn1c(-c2ccc(C)cc2)noc1=O.
What is the InChIKey of N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
The InChIKey is SHWDZQOFRXGPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-9-16-13(19)10-18-14(17-21-15(18)20)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide?
N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide has a molecular weight of 289.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(4-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide is sourced from PubChem (CID 3228079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).