5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol

C13H13ClN2O3 — CID 136857835

IUPAC5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC1(c2noc(-c3ccc(Cl)cc3O)n2)CCC1
InChIInChI=1S/C13H13ClN2O3/c1-18-13(5-2-6-13)12-15-11(19-16-12)9-4-3-8(14)7-10(9)17/h3-4,7,17H,2,5-6H2,1H3
InChIKeyJQSRZDORMTYSML-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.12
Rot. Bonds3

About 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol

5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136857835) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136857835
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC1(c2noc(-c3ccc(Cl)cc3O)n2)CCC1
InChIInChI=1S/C13H13ClN2O3/c1-18-13(5-2-6-13)12-15-11(19-16-12)9-4-3-8(14)7-10(9)17/h3-4,7,17H,2,5-6H2,1H3
InChIKeyJQSRZDORMTYSML-UHFFFAOYSA-N
XLogP3.12
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136773854
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701313
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904298
4-chloro-3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503466
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928492
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136773857
4-fluoro-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701424
2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017762
2-amino-6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136954546
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136857835) is 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol is COC1(c2noc(-c3ccc(Cl)cc3O)n2)CCC1.
What is the InChIKey of 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is JQSRZDORMTYSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-18-13(5-2-6-13)12-15-11(19-16-12)9-4-3-8(14)7-10(9)17/h3-4,7,17H,2,5-6H2,1H3.
What are the key properties of 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol?
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 280.71 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136857835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).