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

C15H18N2O3 — CID 104612057

IUPAC5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCOC1(c2noc(-c3ccc(C)c(O)c3)n2)CCCC1
InChIInChI=1S/C15H18N2O3/c1-10-5-6-11(9-12(10)18)13-16-14(17-20-13)15(19-2)7-3-4-8-15/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyZRHMHEASINGXFQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.17
Rot. Bonds3

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

5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 104612057) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID104612057
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCOC1(c2noc(-c3ccc(C)c(O)c3)n2)CCCC1
InChIInChI=1S/C15H18N2O3/c1-10-5-6-11(9-12(10)18)13-16-14(17-20-13)15(19-2)7-3-4-8-15/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyZRHMHEASINGXFQ-UHFFFAOYSA-N
XLogP3.17
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904519
2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017762
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904541
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928492
2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136773854
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136857835
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136773857
2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872367

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 104612057) is 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is COC1(c2noc(-c3ccc(C)c(O)c3)n2)CCCC1.
What is the InChIKey of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is ZRHMHEASINGXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-5-6-11(9-12(10)18)13-16-14(17-20-13)15(19-2)7-3-4-8-15/h5-6,9,18H,3-4,7-8H2,1-2H3.
What are the key properties of 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 274.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 104612057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).