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

C15H18N2O2 — CID 104986062

IUPAC3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC1(c2nc(-c3cccc(O)c3)no2)CCCCC1
InChIInChI=1S/C15H18N2O2/c1-15(8-3-2-4-9-15)14-16-13(17-19-14)11-6-5-7-12(18)10-11/h5-7,10,18H,2-4,8-9H2,1H3
InChIKeyIFUCGIVDWDZXRJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.66
Rot. Bonds2

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

3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 104986062) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID104986062
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC1(c2nc(-c3cccc(O)c3)no2)CCCCC1
InChIInChI=1S/C15H18N2O2/c1-15(8-3-2-4-9-15)14-16-13(17-19-14)11-6-5-7-12(18)10-11/h5-7,10,18H,2-4,8-9H2,1H3
InChIKeyIFUCGIVDWDZXRJ-UHFFFAOYSA-N
XLogP3.66
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889000
3-(3-bromophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144733
3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63138006
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 91650435
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 96810008
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
3-[5-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 81452965
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol (CID 104986062) is 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol is CC1(c2nc(-c3cccc(O)c3)no2)CCCCC1.
What is the InChIKey of 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is IFUCGIVDWDZXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(8-3-2-4-9-15)14-16-13(17-19-14)11-6-5-7-12(18)10-11/h5-7,10,18H,2-4,8-9H2,1H3.
What are the key properties of 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 258.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 104986062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).