1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C13H14N4O3 — CID 64668290

IUPAC1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1nc(-c2ccccc2[N+](=O)[O-])no1)C1CC1
InChIInChI=1S/C13H14N4O3/c1-13(14,8-6-7-8)12-15-11(16-20-12)9-4-2-3-5-10(9)17(18)19/h2-5,8H,6-7,14H2,1H3
InChIKeyFMSAZGMMTBMZLL-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.23
Rot. Bonds4

About 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 64668290) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID64668290
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)(c1nc(-c2ccccc2[N+](=O)[O-])no1)C1CC1
InChIInChI=1S/C13H14N4O3/c1-13(14,8-6-7-8)12-15-11(16-20-12)9-4-2-3-5-10(9)17(18)19/h2-5,8H,6-7,14H2,1H3
InChIKeyFMSAZGMMTBMZLL-UHFFFAOYSA-N
XLogP2.23
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 64668290) is 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)(c1nc(-c2ccccc2[N+](=O)[O-])no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is FMSAZGMMTBMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-13(14,8-6-7-8)12-15-11(16-20-12)9-4-2-3-5-10(9)17(18)19/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 274.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 64668290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).