2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol

C13H22N2O3 — CID 116732781

IUPAC2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
SMILESCCC(OC)c1noc(C2CCCCCC2O)n1
InChIInChI=1S/C13H22N2O3/c1-3-11(17-2)12-14-13(18-15-12)9-7-5-4-6-8-10(9)16/h9-11,16H,3-8H2,1-2H3
InChIKeyLQFSLISGOURSKW-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.58
Rot. Bonds4

About 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol

2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol (PubChem CID 116732781) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
PubChem CID116732781
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
SMILESCCC(OC)c1noc(C2CCCCCC2O)n1
InChIInChI=1S/C13H22N2O3/c1-3-11(17-2)12-14-13(18-15-12)9-7-5-4-6-8-10(9)16/h9-11,16H,3-8H2,1-2H3
InChIKeyLQFSLISGOURSKW-UHFFFAOYSA-N
XLogP2.58
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116732801
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116732527
3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116701833
(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812910
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474163
[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116702128
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733253
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116702159
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 65129782
3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743655
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733139
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 79085278

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
The IUPAC name of 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol (CID 116732781) is 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol.
What is the SMILES notation for 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
The canonical SMILES for 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol is CCC(OC)c1noc(C2CCCCCC2O)n1.
What is the InChIKey of 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
The InChIKey is LQFSLISGOURSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-11(17-2)12-14-13(18-15-12)9-7-5-4-6-8-10(9)16/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol?
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol is sourced from PubChem (CID 116732781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).