N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

C11H18N4O3 — CID 110609819

IUPACN-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCC(=O)NCCCCNC(=O)Cc1noc(C)n1
InChIInChI=1S/C11H18N4O3/c1-8(16)12-5-3-4-6-13-11(17)7-10-14-9(2)18-15-10/h3-7H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyHHJZTCWIKJCPAE-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.05
Rot. Bonds7

About N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 110609819) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID110609819
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCC(=O)NCCCCNC(=O)Cc1noc(C)n1
InChIInChI=1S/C11H18N4O3/c1-8(16)12-5-3-4-6-13-11(17)7-10-14-9(2)18-15-10/h3-7H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyHHJZTCWIKJCPAE-UHFFFAOYSA-N
XLogP-0.05
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110415619
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398495
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 110625311
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 90978973
N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110410122
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methyl-3-phenylpropyl)acetamide
CID 110608611
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621188
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 110609819) is N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is CC(=O)NCCCCNC(=O)Cc1noc(C)n1.
What is the InChIKey of N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is HHJZTCWIKJCPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(16)12-5-3-4-6-13-11(17)7-10-14-9(2)18-15-10/h3-7H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 254.29 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110609819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).