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

C15H18N2O2 — CID 55258328

IUPAC4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESOc1ccc(Cc2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C15H18N2O2/c18-13-8-6-11(7-9-13)10-14-16-15(17-19-14)12-4-2-1-3-5-12/h6-9,12,18H,1-5,10H2
InChIKeyNVJSNWLDTIPJLG-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.41
Rot. Bonds3

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

4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol (PubChem CID 55258328) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
PubChem CID55258328
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESOc1ccc(Cc2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C15H18N2O2/c18-13-8-6-11(7-9-13)10-14-16-15(17-19-14)12-4-2-1-3-5-12/h6-9,12,18H,1-5,10H2
InChIKeyNVJSNWLDTIPJLG-UHFFFAOYSA-N
XLogP3.41
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 65345651
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65334211
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 81317921
4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79665065
3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole
CID 146512137
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813508
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The IUPAC name of 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol (CID 55258328) is 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol.
What is the SMILES notation for 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The canonical SMILES for 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol is Oc1ccc(Cc2nc(C3CCCCC3)no2)cc1.
What is the InChIKey of 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The InChIKey is NVJSNWLDTIPJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-13-8-6-11(7-9-13)10-14-16-15(17-19-14)12-4-2-1-3-5-12/h6-9,12,18H,1-5,10H2.
What are the key properties of 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol?
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol is sourced from PubChem (CID 55258328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).