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

C15H18FN3O2 — CID 107795618

IUPAC4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
SMILESCCOC1(c2noc(-c3ccc(N)cc3F)n2)CCCC1
InChIInChI=1S/C15H18FN3O2/c1-2-20-15(7-3-4-8-15)14-18-13(21-19-14)11-6-5-10(17)9-12(11)16/h5-6,9H,2-4,7-8,17H2,1H3
InChIKeyVLOUWBCKDQYZLP-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.26
Rot. Bonds4

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

4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline (PubChem CID 107795618) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
PubChem CID107795618
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
SMILESCCOC1(c2noc(-c3ccc(N)cc3F)n2)CCCC1
InChIInChI=1S/C15H18FN3O2/c1-2-20-15(7-3-4-8-15)14-18-13(21-19-14)11-6-5-10(17)9-12(11)16/h5-6,9H,2-4,7-8,17H2,1H3
InChIKeyVLOUWBCKDQYZLP-UHFFFAOYSA-N
XLogP3.26
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701424
5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741380
2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872367
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116781646
4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 116743337
[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741445
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795654
6-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116742334
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701313
1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850187
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771082
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The IUPAC name of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline (CID 107795618) is 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline.
What is the SMILES notation for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The canonical SMILES for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline is CCOC1(c2noc(-c3ccc(N)cc3F)n2)CCCC1.
What is the InChIKey of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The InChIKey is VLOUWBCKDQYZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-2-20-15(7-3-4-8-15)14-18-13(21-19-14)11-6-5-10(17)9-12(11)16/h5-6,9H,2-4,7-8,17H2,1H3.
What are the key properties of 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline has a molecular weight of 291.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline is sourced from PubChem (CID 107795618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).