2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C13H16N4O3 — CID 61034820

IUPAC2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)COc2cccc(N)c2)o1
InChIInChI=1S/C13H16N4O3/c1-8(2)12-16-17-13(20-12)15-11(18)7-19-10-5-3-4-9(14)6-10/h3-6,8H,7,14H2,1-2H3,(H,15,17,18)
InChIKeyFDGZCTFMSSCOOY-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.79
Rot. Bonds5

About 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 61034820) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID61034820
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)COc2cccc(N)c2)o1
InChIInChI=1S/C13H16N4O3/c1-8(2)12-16-17-13(20-12)15-11(18)7-19-10-5-3-4-9(14)6-10/h3-6,8H,7,14H2,1-2H3,(H,15,17,18)
InChIKeyFDGZCTFMSSCOOY-UHFFFAOYSA-N
XLogP1.79
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 79133327
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 114911560
2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 61034938
3-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethoxy]thiophene-2-carboxylic acid
CID 63338664
2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973422
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248730
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 61090242
2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
CID 61035585
2-(3-aminophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 61034814

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 61034820) is 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)COc2cccc(N)c2)o1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is FDGZCTFMSSCOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(2)12-16-17-13(20-12)15-11(18)7-19-10-5-3-4-9(14)6-10/h3-6,8H,7,14H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 276.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 61034820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).