(3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol

C12H18N2O2 — CID 66140449

IUPAC(3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol
SMILESOC(c1cncn1C1CC1)C1CCOCC1
InChIInChI=1S/C12H18N2O2/c15-12(9-3-5-16-6-4-9)11-7-13-8-14(11)10-1-2-10/h7-10,12,15H,1-6H2
InChIKeyZOCBARRUADKXGH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.68
Rot. Bonds3

About (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol

(3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol (PubChem CID 66140449) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol
PubChem CID66140449
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol
SMILESOC(c1cncn1C1CC1)C1CCOCC1
InChIInChI=1S/C12H18N2O2/c15-12(9-3-5-16-6-4-9)11-7-13-8-14(11)10-1-2-10/h7-10,12,15H,1-6H2
InChIKeyZOCBARRUADKXGH-UHFFFAOYSA-N
XLogP1.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol (CID 66140449) is (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol is OC(c1cncn1C1CC1)C1CCOCC1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol?
The InChIKey is ZOCBARRUADKXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(9-3-5-16-6-4-9)11-7-13-8-14(11)10-1-2-10/h7-10,12,15H,1-6H2.
What are the key properties of (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol?
(3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol has a molecular weight of 222.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 66140449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).