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

C10H16N2O2 — CID 66119019

IUPAC(3-methylimidazol-4-yl)-(oxan-4-yl)methanol
SMILESCn1cncc1C(O)C1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-12-7-11-6-9(12)10(13)8-2-4-14-5-3-8/h6-8,10,13H,2-5H2,1H3
InChIKeyWSMMOFNREFXHLR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.88
Rot. Bonds2

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

(3-methylimidazol-4-yl)-(oxan-4-yl)methanol (PubChem CID 66119019) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(oxan-4-yl)methanol
PubChem CID66119019
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3-methylimidazol-4-yl)-(oxan-4-yl)methanol
SMILESCn1cncc1C(O)C1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-12-7-11-6-9(12)10(13)8-2-4-14-5-3-8/h6-8,10,13H,2-5H2,1H3
InChIKeyWSMMOFNREFXHLR-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(oxan-4-yl)methanol?
The IUPAC name of (3-methylimidazol-4-yl)-(oxan-4-yl)methanol (CID 66119019) is (3-methylimidazol-4-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (3-methylimidazol-4-yl)-(oxan-4-yl)methanol is Cn1cncc1C(O)C1CCOCC1.
What is the InChIKey of (3-methylimidazol-4-yl)-(oxan-4-yl)methanol?
The InChIKey is WSMMOFNREFXHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-7-11-6-9(12)10(13)8-2-4-14-5-3-8/h6-8,10,13H,2-5H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-(oxan-4-yl)methanol?
(3-methylimidazol-4-yl)-(oxan-4-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 66119019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).