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

C13H22N2O3 — CID 116781766

IUPAC3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCOC1(c2noc(CCCO)n2)CCCCCC1
InChIInChI=1S/C13H22N2O3/c1-17-13(8-4-2-3-5-9-13)12-14-11(18-15-12)7-6-10-16/h16H,2-10H2,1H3
InChIKeySZKBAXWEWXSEHC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.19
Rot. Bonds5

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

3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 116781766) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID116781766
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCOC1(c2noc(CCCO)n2)CCCCCC1
InChIInChI=1S/C13H22N2O3/c1-17-13(8-4-2-3-5-9-13)12-14-11(18-15-12)7-6-10-16/h16H,2-10H2,1H3
InChIKeySZKBAXWEWXSEHC-UHFFFAOYSA-N
XLogP2.19
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116743201
6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 116743145
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104609587
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104609736
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781658
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 116780703
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
1-[[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 104609689
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 104612022
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 116781766) is 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is COC1(c2noc(CCCO)n2)CCCCCC1.
What is the InChIKey of 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is SZKBAXWEWXSEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-17-13(8-4-2-3-5-9-13)12-14-11(18-15-12)7-6-10-16/h16H,2-10H2,1H3.
What are the key properties of 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 116781766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).