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

C17H22N2O2 — CID 136751161

IUPAC4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
SMILESCCC1CCC(c2noc(-c3ccc(O)cc3C)n2)CC1
InChIInChI=1S/C17H22N2O2/c1-3-12-4-6-13(7-5-12)16-18-17(21-19-16)15-9-8-14(20)10-11(15)2/h8-10,12-13,20H,3-7H2,1-2H3
InChIKeyUKNJVGVRHKJEMF-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.43
Rot. Bonds3

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

4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol (PubChem CID 136751161) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
PubChem CID136751161
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
SMILESCCC1CCC(c2noc(-c3ccc(O)cc3C)n2)CC1
InChIInChI=1S/C17H22N2O2/c1-3-12-4-6-13(7-5-12)16-18-17(21-19-16)15-9-8-14(20)10-11(15)2/h8-10,12-13,20H,3-7H2,1-2H3
InChIKeyUKNJVGVRHKJEMF-UHFFFAOYSA-N
XLogP4.43
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904152
3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751103
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 106524958
4-bromo-2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885773
5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 65395546
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65395135
2-bromo-6-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65392853
N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 146567941
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethylaniline
CID 65413071
2-bromo-4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65392847
4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65412866
4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751149

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol?
The IUPAC name of 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol (CID 136751161) is 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol.
What is the SMILES notation for 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol?
The canonical SMILES for 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol is CCC1CCC(c2noc(-c3ccc(O)cc3C)n2)CC1.
What is the InChIKey of 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol?
The InChIKey is UKNJVGVRHKJEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-12-4-6-13(7-5-12)16-18-17(21-19-16)15-9-8-14(20)10-11(15)2/h8-10,12-13,20H,3-7H2,1-2H3.
What are the key properties of 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol?
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol has a molecular weight of 286.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol is sourced from PubChem (CID 136751161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).