2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline

C13H16ClN3O2 — CID 107051211

IUPAC2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC(c1noc(-c2cccc(Cl)c2N)n1)C(C)C
InChIInChI=1S/C13H16ClN3O2/c1-7(2)11(18-3)12-16-13(19-17-12)8-5-4-6-9(14)10(8)15/h4-7,11H,15H2,1-3H3
InChIKeyWKQRPRFUMSYVOF-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline

2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 107051211) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID107051211
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC(c1noc(-c2cccc(Cl)c2N)n1)C(C)C
InChIInChI=1S/C13H16ClN3O2/c1-7(2)11(18-3)12-16-13(19-17-12)8-5-4-6-9(14)10(8)15/h4-7,11H,15H2,1-3H3
InChIKeyWKQRPRFUMSYVOF-UHFFFAOYSA-N
XLogP3.32
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-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-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965239
4,5-difluoro-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702940
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 116702939
2-fluoro-4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702974
[3-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116702892
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107099594
4-iodo-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886110
5-(2-amino-3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107051145
2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051015
5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole
CID 167773891
2-chloro-6-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051243

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline (CID 107051211) is 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline is COC(c1noc(-c2cccc(Cl)c2N)n1)C(C)C.
What is the InChIKey of 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is WKQRPRFUMSYVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-7(2)11(18-3)12-16-13(19-17-12)8-5-4-6-9(14)10(8)15/h4-7,11H,15H2,1-3H3.
What are the key properties of 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline?
2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 281.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 107051211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).