1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol

C14H22N2O2 — CID 79752749

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1CC2CCC1O2
InChIInChI=1S/C14H22N2O2/c1-2-6-16-7-5-15-14(16)9-12(17)11-8-10-3-4-13(11)18-10/h5,7,10-13,17H,2-4,6,8-9H2,1H3
InChIKeyPPCRYTWMOMBTQS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.76
Rot. Bonds5

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 79752749) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID79752749
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)C1CC2CCC1O2
InChIInChI=1S/C14H22N2O2/c1-2-6-16-7-5-15-14(16)9-12(17)11-8-10-3-4-13(11)18-10/h5,7,10-13,17H,2-4,6,8-9H2,1H3
InChIKeyPPCRYTWMOMBTQS-UHFFFAOYSA-N
XLogP1.76
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol (CID 79752749) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)C1CC2CCC1O2.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is PPCRYTWMOMBTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-6-16-7-5-15-14(16)9-12(17)11-8-10-3-4-13(11)18-10/h5,7,10-13,17H,2-4,6,8-9H2,1H3.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 250.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 79752749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).