3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol

C12H20N2O2 — CID 79200552

IUPAC3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESOCCCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C12H20N2O2/c15-9-5-8-11-13-12(14-16-11)10-6-3-1-2-4-7-10/h10,15H,1-9H2
InChIKeyUKZUFVPADSDWAX-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.43
Rot. Bonds4

About 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol (PubChem CID 79200552) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
PubChem CID79200552
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESOCCCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C12H20N2O2/c15-9-5-8-11-13-12(14-16-11)10-6-3-1-2-4-7-10/h10,15H,1-9H2
InChIKeyUKZUFVPADSDWAX-UHFFFAOYSA-N
XLogP2.43
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192890
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192426
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292

Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The IUPAC name of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol (CID 79200552) is 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol is OCCCc1nc(C2CCCCCC2)no1.
What is the InChIKey of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The InChIKey is UKZUFVPADSDWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-9-5-8-11-13-12(14-16-11)10-6-3-1-2-4-7-10/h10,15H,1-9H2.
What are the key properties of 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol?
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 79200552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).