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

C15H18N2O3 — CID 136904152

IUPAC4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCCC1CCC(c2noc(-c3ccc(O)cc3O)n2)C1
InChIInChI=1S/C15H18N2O3/c1-2-9-3-4-10(7-9)14-16-15(20-17-14)12-6-5-11(18)8-13(12)19/h5-6,8-10,18-19H,2-4,7H2,1H3
InChIKeyRQPCYZHFFPVSRB-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.44
Rot. Bonds3

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

4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136904152) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136904152
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCCC1CCC(c2noc(-c3ccc(O)cc3O)n2)C1
InChIInChI=1S/C15H18N2O3/c1-2-9-3-4-10(7-9)14-16-15(20-17-14)12-6-5-11(18)8-13(12)19/h5-6,8-10,18-19H,2-4,7H2,1H3
InChIKeyRQPCYZHFFPVSRB-UHFFFAOYSA-N
XLogP3.44
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885773
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751161
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 106524958
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]-4,6-dimethylaniline
CID 65413071
2-chloro-6-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050902
2-[2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65412676
3-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827647
5-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 65412668
4-bromo-3-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296591
2-[4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65415299
3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751103

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136904152) is 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is CCC1CCC(c2noc(-c3ccc(O)cc3O)n2)C1.
What is the InChIKey of 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is RQPCYZHFFPVSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-9-3-4-10(7-9)14-16-15(20-17-14)12-6-5-11(18)8-13(12)19/h5-6,8-10,18-19H,2-4,7H2,1H3.
What are the key properties of 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 274.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136904152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).