3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C12H14N4O3 — CID 106391378

IUPAC3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESNc1ccccc1OCCC(=O)NCc1ncon1
InChIInChI=1S/C12H14N4O3/c13-9-3-1-2-4-10(9)18-6-5-12(17)14-7-11-15-8-19-16-11/h1-4,8H,5-7,13H2,(H,14,17)
InChIKeyKVRAVHMFEJYOAO-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.74
Rot. Bonds6

About 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106391378) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106391378
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESNc1ccccc1OCCC(=O)NCc1ncon1
InChIInChI=1S/C12H14N4O3/c13-9-3-1-2-4-10(9)18-6-5-12(17)14-7-11-15-8-19-16-11/h1-4,8H,5-7,13H2,(H,14,17)
InChIKeyKVRAVHMFEJYOAO-UHFFFAOYSA-N
XLogP0.74
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.74
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

3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61283637
[3-(1,2,4-oxadiazol-3-ylmethylamino)-3-oxopropyl] 2-methylprop-2-enoate
CID 178076792
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
3-(2-aminophenoxy)-N-morpholin-4-ylpropanamide
CID 83013203
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
3-(2-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65103822
3-(2-aminophenoxy)propanamide
CID 39869131
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106391378) is 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is Nc1ccccc1OCCC(=O)NCc1ncon1.
What is the InChIKey of 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is KVRAVHMFEJYOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-9-3-1-2-4-10(9)18-6-5-12(17)14-7-11-15-8-19-16-11/h1-4,8H,5-7,13H2,(H,14,17).
What are the key properties of 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 262.27 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106391378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).