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

C13H14ClN3O — CID 82486187

IUPAC4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1ccc(Cl)cc1-c1nnc(C2CCCC2)o1
InChIInChI=1S/C13H14ClN3O/c14-9-5-6-11(15)10(7-9)13-17-16-12(18-13)8-3-1-2-4-8/h5-8H,1-4,15H2
InChIKeyRTEFSPZKOHNGGG-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.63
Rot. Bonds2

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

4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 82486187) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID82486187
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1ccc(Cl)cc1-c1nnc(C2CCCC2)o1
InChIInChI=1S/C13H14ClN3O/c14-9-5-6-11(15)10(7-9)13-17-16-12(18-13)8-3-1-2-4-8/h5-8H,1-4,15H2
InChIKeyRTEFSPZKOHNGGG-UHFFFAOYSA-N
XLogP3.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.63
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-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 104538231
2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 62075542
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoroaniline
CID 62076503
2-(2-bromo-4-chlorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 104524995
4-chloro-2-(4-cyclohexylphenyl)aniline
CID 81275663
2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole
CID 114369729
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 62076840
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
2-(5-cycloheptyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 81436210

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline (CID 82486187) is 4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline is Nc1ccc(Cl)cc1-c1nnc(C2CCCC2)o1.
What is the InChIKey of 4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is RTEFSPZKOHNGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-9-5-6-11(15)10(7-9)13-17-16-12(18-13)8-3-1-2-4-8/h5-8H,1-4,15H2.
What are the key properties of 4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline?
4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 263.73 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 82486187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).