4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline

C14H17N3O2 — CID 104609706

IUPAC4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC1(c2noc(-c3ccc(N)cc3)n2)CCCC1
InChIInChI=1S/C14H17N3O2/c1-18-14(8-2-3-9-14)13-16-12(19-17-13)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9,15H2,1H3
InChIKeyHDHZQFBOTIGJJM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.73
Rot. Bonds3

About 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline

4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 104609706) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID104609706
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC1(c2noc(-c3ccc(N)cc3)n2)CCCC1
InChIInChI=1S/C14H17N3O2/c1-18-14(8-2-3-9-14)13-16-12(19-17-13)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9,15H2,1H3
InChIKeyHDHZQFBOTIGJJM-UHFFFAOYSA-N
XLogP2.73
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.73
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-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742192
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904519
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 104612057
2,6-dichloro-4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701463
4-fluoro-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701424
5-bromo-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609673
2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017762
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 116701325

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline (CID 104609706) is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline is COC1(c2noc(-c3ccc(N)cc3)n2)CCCC1.
What is the InChIKey of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is HDHZQFBOTIGJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-14(8-2-3-9-14)13-16-12(19-17-13)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9,15H2,1H3.
What are the key properties of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline?
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 259.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 104609706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).