2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline

C13H15N3O — CID 114016525

IUPAC2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC1(C)CC1c1noc(-c2ccccc2N)n1
InChIInChI=1S/C13H15N3O/c1-13(2)7-9(13)11-15-12(17-16-11)8-5-3-4-6-10(8)14/h3-6,9H,7,14H2,1-2H3
InChIKeyOMHUHYHABYKJRG-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.83
Rot. Bonds2

About 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline

2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 114016525) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID114016525
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC1(C)CC1c1noc(-c2ccccc2N)n1
InChIInChI=1S/C13H15N3O/c1-13(2)7-9(13)11-15-12(17-16-11)8-5-3-4-6-10(8)14/h3-6,9H,7,14H2,1-2H3
InChIKeyOMHUHYHABYKJRG-UHFFFAOYSA-N
XLogP2.83
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline 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

2-amino-6-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136938694
4-chloro-3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107925252
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethylaniline
CID 107925129
2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594958
5-bromo-2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136700964
5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747800
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196544
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136889877
[2-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]-3,6-difluorophenyl]phosphane
CID 166811323
2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703677
2-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62661065
2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-iodoaniline
CID 65391547

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline (CID 114016525) is 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline is CC1(C)CC1c1noc(-c2ccccc2N)n1.
What is the InChIKey of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is OMHUHYHABYKJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-13(2)7-9(13)11-15-12(17-16-11)8-5-3-4-6-10(8)14/h3-6,9H,7,14H2,1-2H3.
What are the key properties of 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline?
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 229.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 114016525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).