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

C17H22N2O3S — CID 110883448

IUPAC2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol
SMILESCc1ccc(C)c(OCc2nnc(SC3CCCCC3O)o2)c1
InChIInChI=1S/C17H22N2O3S/c1-11-7-8-12(2)14(9-11)21-10-16-18-19-17(22-16)23-15-6-4-3-5-13(15)20/h7-9,13,15,20H,3-6,10H2,1-2H3
InChIKeyDXIIODUALGQRLP-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.66
Rot. Bonds5

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

2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol (PubChem CID 110883448) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol
PubChem CID110883448
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol
SMILESCc1ccc(C)c(OCc2nnc(SC3CCCCC3O)o2)c1
InChIInChI=1S/C17H22N2O3S/c1-11-7-8-12(2)14(9-11)21-10-16-18-19-17(22-16)23-15-6-4-3-5-13(15)20/h7-9,13,15,20H,3-6,10H2,1-2H3
InChIKeyDXIIODUALGQRLP-UHFFFAOYSA-N
XLogP3.66
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-cycloheptyl-2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786968
(3S,5R)-3-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one
CID 95901480
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 39403307
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 51235741
methyl 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 51141909
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dimethylphenyl)ethanone
CID 39606908
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 133427707
2-[(2,5-dimethylphenoxy)methyl]-5-(2-phenylethylsulfanyl)-1,3,4-oxadiazole
CID 112786908
2-[(2,5-dimethylphenoxy)methyl]-5-(2-phenoxyethylsulfanyl)-1,3,4-oxadiazole
CID 78766417
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 35973237
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 112786963
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4882819

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol?
The IUPAC name of 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol (CID 110883448) is 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol is Cc1ccc(C)c(OCc2nnc(SC3CCCCC3O)o2)c1.
What is the InChIKey of 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol?
The InChIKey is DXIIODUALGQRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11-7-8-12(2)14(9-11)21-10-16-18-19-17(22-16)23-15-6-4-3-5-13(15)20/h7-9,13,15,20H,3-6,10H2,1-2H3.
What are the key properties of 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol?
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol has a molecular weight of 334.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol is sourced from PubChem (CID 110883448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).