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

C15H17ClN2O3 — CID 137017762

IUPAC2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC1(c2noc(-c3ccc(O)c(Cl)c3)n2)CCCCC1
InChIInChI=1S/C15H17ClN2O3/c1-20-15(7-3-2-4-8-15)14-17-13(21-18-14)10-5-6-12(19)11(16)9-10/h5-6,9,19H,2-4,7-8H2,1H3
InChIKeyFKXLKXWNVLLNNE-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.90
Rot. Bonds3

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

2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137017762) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137017762
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC1(c2noc(-c3ccc(O)c(Cl)c3)n2)CCCCC1
InChIInChI=1S/C15H17ClN2O3/c1-20-15(7-3-2-4-8-15)14-17-13(21-18-14)10-5-6-12(19)11(16)9-10/h5-6,9,19H,2-4,7-8H2,1H3
InChIKeyFKXLKXWNVLLNNE-UHFFFAOYSA-N
XLogP3.90
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.90
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
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 104612057
4-chloro-3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503466
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904541
5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136773854
2,6-dichloro-4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701463
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136857835
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-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol (CID 137017762) is 2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol is COC1(c2noc(-c3ccc(O)c(Cl)c3)n2)CCCCC1.
What is the InChIKey of 2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is FKXLKXWNVLLNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-20-15(7-3-2-4-8-15)14-17-13(21-18-14)10-5-6-12(19)11(16)9-10/h5-6,9,19H,2-4,7-8H2,1H3.
What are the key properties of 2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol?
2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 308.76 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137017762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).