2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline

C11H12ClN3O — CID 28541006

IUPAC2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCC(C)c1noc(-c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C11H12ClN3O/c1-6(2)10-14-11(16-15-10)7-3-4-8(12)9(13)5-7/h3-6H,13H2,1-2H3
InChIKeyXOOKXTVKARRMFJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.10
Rot. Bonds2

About 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline

2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 28541006) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID28541006
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCC(C)c1noc(-c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C11H12ClN3O/c1-6(2)10-14-11(16-15-10)7-3-4-8(12)9(13)5-7/h3-6H,13H2,1-2H3
InChIKeyXOOKXTVKARRMFJ-UHFFFAOYSA-N
XLogP3.10
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79614235
2-chloro-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702452
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 107992698
5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 82489563
2-chloro-4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116703123
2-chloro-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094898
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 79614402
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 29041458
2-chloro-5-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 81260859
1-[5-(4-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634547
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82788167

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline (CID 28541006) is 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline is CC(C)c1noc(-c2ccc(Cl)c(N)c2)n1.
What is the InChIKey of 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is XOOKXTVKARRMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-6(2)10-14-11(16-15-10)7-3-4-8(12)9(13)5-7/h3-6H,13H2,1-2H3.
What are the key properties of 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline?
2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 237.69 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 28541006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).