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

C14H15ClN2O3 — CID 136773854

IUPAC5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC1(c2noc(-c3ccc(Cl)cc3O)n2)CCCC1
InChIInChI=1S/C14H15ClN2O3/c1-19-14(6-2-3-7-14)13-16-12(20-17-13)10-5-4-9(15)8-11(10)18/h4-5,8,18H,2-3,6-7H2,1H3
InChIKeyFRMVHRFJXMHUMN-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.51
Rot. Bonds3

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

5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136773854) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136773854
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC1(c2noc(-c3ccc(Cl)cc3O)n2)CCCC1
InChIInChI=1S/C14H15ClN2O3/c1-19-14(6-2-3-7-14)13-16-12(20-17-13)10-5-4-9(15)8-11(10)18/h4-5,8,18H,2-3,6-7H2,1H3
InChIKeyFRMVHRFJXMHUMN-UHFFFAOYSA-N
XLogP3.51
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136773854) is 5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol is COC1(c2noc(-c3ccc(Cl)cc3O)n2)CCCC1.
What is the InChIKey of 5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is FRMVHRFJXMHUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-19-14(6-2-3-7-14)13-16-12(20-17-13)10-5-4-9(15)8-11(10)18/h4-5,8,18H,2-3,6-7H2,1H3.
What are the key properties of 5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol?
5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 294.74 g/mol, XLogP of 3.51, 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-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136773854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).