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

C14H17BrN4O2 — CID 79665076

IUPAC2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCN1CCOC(c2noc(-c3ccc(N)c(Br)c3)n2)C1
InChIInChI=1S/C14H17BrN4O2/c1-2-19-5-6-20-12(8-19)13-17-14(21-18-13)9-3-4-11(16)10(15)7-9/h3-4,7,12H,2,5-6,8,16H2,1H3
InChIKeyDUCJZUVNKQMVFT-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.47
Rot. Bonds3

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

2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 79665076) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID79665076
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCCN1CCOC(c2noc(-c3ccc(N)c(Br)c3)n2)C1
InChIInChI=1S/C14H17BrN4O2/c1-2-19-5-6-20-12(8-19)13-17-14(21-18-13)9-3-4-11(16)10(15)7-9/h3-4,7,12H,2,5-6,8,16H2,1H3
InChIKeyDUCJZUVNKQMVFT-UHFFFAOYSA-N
XLogP2.47
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-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-bromo-4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79078232
4-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665313
5-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665321
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525764
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904167
2-fluoro-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077241
3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79665325
2-bromo-4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65392847
2-bromo-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938053
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 79669288

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 79665076) is 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline is CCN1CCOC(c2noc(-c3ccc(N)c(Br)c3)n2)C1.
What is the InChIKey of 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is DUCJZUVNKQMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-2-19-5-6-20-12(8-19)13-17-14(21-18-13)9-3-4-11(16)10(15)7-9/h3-4,7,12H,2,5-6,8,16H2,1H3.
What are the key properties of 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 353.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 79665076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).