4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

C15H17ClN2O2 — CID 63349683

IUPAC4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(Cc3ccccc3Cl)no2)CC1
InChIInChI=1S/C15H17ClN2O2/c16-13-4-2-1-3-11(13)9-14-17-15(20-18-14)10-5-7-12(19)8-6-10/h1-4,10,12,19H,5-9H2
InChIKeyRGGYTWASHYRIIR-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.33
Rot. Bonds3

About 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 63349683) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID63349683
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(Cc3ccccc3Cl)no2)CC1
InChIInChI=1S/C15H17ClN2O2/c16-13-4-2-1-3-11(13)9-14-17-15(20-18-14)10-5-7-12(19)8-6-10/h1-4,10,12,19H,5-9H2
InChIKeyRGGYTWASHYRIIR-UHFFFAOYSA-N
XLogP3.33
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
CID 167990839
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55203356
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349298
3-[[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 47529696
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552034
3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
CID 96592622
3-[(2-chloro-3-fluorophenyl)methyl]-5-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole
CID 154758335
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813444
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66032392
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 65465196
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 63349683) is 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is OC1CCC(c2nc(Cc3ccccc3Cl)no2)CC1.
What is the InChIKey of 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is RGGYTWASHYRIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-13-4-2-1-3-11(13)9-14-17-15(20-18-14)10-5-7-12(19)8-6-10/h1-4,10,12,19H,5-9H2.
What are the key properties of 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 292.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 63349683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).