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

C10H18N4O2 — CID 106398495

IUPACN-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
SMILESCCCCNC(=O)CNCc1noc(C)n1
InChIInChI=1S/C10H18N4O2/c1-3-4-5-12-10(15)7-11-6-9-13-8(2)16-14-9/h11H,3-7H2,1-2H3,(H,12,15)
InChIKeyJKQCHZSWTDZFPF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.38
Rot. Bonds7

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

N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide (PubChem CID 106398495) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
PubChem CID106398495
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
SMILESCCCCNC(=O)CNCc1noc(C)n1
InChIInChI=1S/C10H18N4O2/c1-3-4-5-12-10(15)7-11-6-9-13-8(2)16-14-9/h11H,3-7H2,1-2H3,(H,12,15)
InChIKeyJKQCHZSWTDZFPF-UHFFFAOYSA-N
XLogP0.38
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.38
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

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106398458
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 106398305
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398064
N-(4-acetamidobutyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110609819
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
N-butyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106372322
N-cyclopropyl-N-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 114183707
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate
CID 107911873
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 106396639

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
The IUPAC name of N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide (CID 106398495) is N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
The canonical SMILES for N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide is CCCCNC(=O)CNCc1noc(C)n1.
What is the InChIKey of N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
The InChIKey is JKQCHZSWTDZFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-4-5-12-10(15)7-11-6-9-13-8(2)16-14-9/h11H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide has a molecular weight of 226.28 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 106398495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).