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

C13H20N2O2S — CID 83200871

IUPAC4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESCC1CCCC(c2noc(C3CSCC3O)n2)C1
InChIInChI=1S/C13H20N2O2S/c1-8-3-2-4-9(5-8)12-14-13(17-15-12)10-6-18-7-11(10)16/h8-11,16H,2-7H2,1H3
InChIKeyFNAKFNHDTHGDJY-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.55
Rot. Bonds2

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

4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (PubChem CID 83200871) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.

Molecular Properties

Compound Name4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
PubChem CID83200871
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESCC1CCCC(c2noc(C3CSCC3O)n2)C1
InChIInChI=1S/C13H20N2O2S/c1-8-3-2-4-9(5-8)12-14-13(17-15-12)10-6-18-7-11(10)16/h8-11,16H,2-7H2,1H3
InChIKeyFNAKFNHDTHGDJY-UHFFFAOYSA-N
XLogP2.55
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83200552
4-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83191927
N-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201490
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
4-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201621
N-ethyl-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65415278
5-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689868
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylthiolan-3-amine
CID 83201545
4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83201118
4-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83191926
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
CID 83201313

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The IUPAC name of 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (CID 83200871) is 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.
What is the SMILES notation for 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The canonical SMILES for 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is CC1CCCC(c2noc(C3CSCC3O)n2)C1.
What is the InChIKey of 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The InChIKey is FNAKFNHDTHGDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-3-2-4-9(5-8)12-14-13(17-15-12)10-6-18-7-11(10)16/h8-11,16H,2-7H2,1H3.
What are the key properties of 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol has a molecular weight of 268.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is sourced from PubChem (CID 83200871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).