4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol

C12H20N2O3 — CID 113414322

IUPAC4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol
SMILESCC(C)c1noc(COC2CCC(O)CC2)n1
InChIInChI=1S/C12H20N2O3/c1-8(2)12-13-11(17-14-12)7-16-10-5-3-9(15)4-6-10/h8-10,15H,3-7H2,1-2H3
InChIKeyFODVAWFMHRZQOB-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.01
Rot. Bonds4

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

4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol (PubChem CID 113414322) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol
PubChem CID113414322
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol
SMILESCC(C)c1noc(COC2CCC(O)CC2)n1
InChIInChI=1S/C12H20N2O3/c1-8(2)12-13-11(17-14-12)7-16-10-5-3-9(15)4-6-10/h8-10,15H,3-7H2,1-2H3
InChIKeyFODVAWFMHRZQOB-UHFFFAOYSA-N
XLogP2.01
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55712375
ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79004032
4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 125452997
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate
CID 55539803
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate
CID 165484898
N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 24649063
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
(1S,3R,4R)-3,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 125451855

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol?
The IUPAC name of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol (CID 113414322) is 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol is CC(C)c1noc(COC2CCC(O)CC2)n1.
What is the InChIKey of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol?
The InChIKey is FODVAWFMHRZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(2)12-13-11(17-14-12)7-16-10-5-3-9(15)4-6-10/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol?
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol has a molecular weight of 240.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol is sourced from PubChem (CID 113414322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).