5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C13H14N4O3 — CID 102790931

IUPAC5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNc1ccc(OCc2nc(C(=O)NC3CC3)no2)cc1
InChIInChI=1S/C13H14N4O3/c14-8-1-5-10(6-2-8)19-7-11-16-12(17-20-11)13(18)15-9-3-4-9/h1-2,5-6,9H,3-4,7,14H2,(H,15,18)
InChIKeyGOKHPAZKXLLRNP-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.12
Rot. Bonds5

About 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790931) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790931
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNc1ccc(OCc2nc(C(=O)NC3CC3)no2)cc1
InChIInChI=1S/C13H14N4O3/c14-8-1-5-10(6-2-8)19-7-11-16-12(17-20-11)13(18)15-9-3-4-9/h1-2,5-6,9H,3-4,7,14H2,(H,15,18)
InChIKeyGOKHPAZKXLLRNP-UHFFFAOYSA-N
XLogP1.12
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790953
5-[(4-aminophenoxy)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790240
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102791029
5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790988
5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790819
N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790857
N-cyclopropyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 56883843
2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 54908932
5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102791051
4-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65334904
N-cyclopropyl-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790886
5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 106527877

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102790931) is 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is Nc1ccc(OCc2nc(C(=O)NC3CC3)no2)cc1.
What is the InChIKey of 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is GOKHPAZKXLLRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-8-1-5-10(6-2-8)19-7-11-16-12(17-20-11)13(18)15-9-3-4-9/h1-2,5-6,9H,3-4,7,14H2,(H,15,18).
What are the key properties of 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).