2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline

C15H18FN3O — CID 65414294

IUPAC2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
SMILESCCC1CCC(c2noc(-c3c(N)cccc3F)n2)C1
InChIInChI=1S/C15H18FN3O/c1-2-9-6-7-10(8-9)14-18-15(20-19-14)13-11(16)4-3-5-12(13)17/h3-5,9-10H,2,6-8,17H2,1H3
InChIKeyFUMMBXNWYDMSAB-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.75
Rot. Bonds3

About 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline

2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline (PubChem CID 65414294) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
PubChem CID65414294
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
SMILESCCC1CCC(c2noc(-c3c(N)cccc3F)n2)C1
InChIInChI=1S/C15H18FN3O/c1-2-9-6-7-10(8-9)14-18-15(20-19-14)13-11(16)4-3-5-12(13)17/h3-5,9-10H,2,6-8,17H2,1H3
InChIKeyFUMMBXNWYDMSAB-UHFFFAOYSA-N
XLogP3.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.75
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

5-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 65412668
2-chloro-6-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050902
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65412664
2-[2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65412676
2-[4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65415299
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65414293
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 115336022
3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401426
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethylaniline
CID 65413071
4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65412866
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114915948
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904152

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The IUPAC name of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline (CID 65414294) is 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline.
What is the SMILES notation for 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The canonical SMILES for 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline is CCC1CCC(c2noc(-c3c(N)cccc3F)n2)C1.
What is the InChIKey of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The InChIKey is FUMMBXNWYDMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-9-6-7-10(8-9)14-18-15(20-19-14)13-11(16)4-3-5-12(13)17/h3-5,9-10H,2,6-8,17H2,1H3.
What are the key properties of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline has a molecular weight of 275.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline is sourced from PubChem (CID 65414294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).