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

C14H16N2O4 — CID 136928492

IUPAC3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
SMILESCOC1(c2noc(-c3cccc(O)c3O)n2)CCCC1
InChIInChI=1S/C14H16N2O4/c1-19-14(7-2-3-8-14)13-15-12(20-16-13)9-5-4-6-10(17)11(9)18/h4-6,17-18H,2-3,7-8H2,1H3
InChIKeyDRNRPYFUHMJFEF-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.56
Rot. Bonds3

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

3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol (PubChem CID 136928492) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
PubChem CID136928492
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
SMILESCOC1(c2noc(-c3cccc(O)c3O)n2)CCCC1
InChIInChI=1S/C14H16N2O4/c1-19-14(7-2-3-8-14)13-15-12(20-16-13)9-5-4-6-10(17)11(9)18/h4-6,17-18H,2-3,7-8H2,1H3
InChIKeyDRNRPYFUHMJFEF-UHFFFAOYSA-N
XLogP2.56
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136954546
5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136773854
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136773857
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136857835
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116701543
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904519
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 116701473
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116781646
4-chloro-3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503466
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 104612057
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904298
2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017762

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol?
The IUPAC name of 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol (CID 136928492) is 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol.
What is the SMILES notation for 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol?
The canonical SMILES for 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol is COC1(c2noc(-c3cccc(O)c3O)n2)CCCC1.
What is the InChIKey of 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol?
The InChIKey is DRNRPYFUHMJFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-19-14(7-2-3-8-14)13-15-12(20-16-13)9-5-4-6-10(17)11(9)18/h4-6,17-18H,2-3,7-8H2,1H3.
What are the key properties of 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol?
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol has a molecular weight of 276.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol is sourced from PubChem (CID 136928492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).