2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide

C10H17N3O2 — CID 4114304

IUPAC2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCNCC(=O)Nc1ccon1
InChIInChI=1S/C10H17N3O2/c1-8(2)3-5-11-7-10(14)12-9-4-6-15-13-9/h4,6,8,11H,3,5,7H2,1-2H3,(H,12,13,14)
InChIKeyAFRKZAPKIPGQFF-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.25
Rot. Bonds6

About 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide

2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 4114304) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide
PubChem CID4114304
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCNCC(=O)Nc1ccon1
InChIInChI=1S/C10H17N3O2/c1-8(2)3-5-11-7-10(14)12-9-4-6-15-13-9/h4,6,8,11H,3,5,7H2,1-2H3,(H,12,13,14)
InChIKeyAFRKZAPKIPGQFF-UHFFFAOYSA-N
XLogP1.25
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide (CID 4114304) is 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide is CC(C)CCNCC(=O)Nc1ccon1.
What is the InChIKey of 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is AFRKZAPKIPGQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)3-5-11-7-10(14)12-9-4-6-15-13-9/h4,6,8,11H,3,5,7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide?
2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 211.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4114304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).