(1-methylimidazol-2-yl)-(oxan-3-yl)methanol

C10H16N2O2 — CID 63974943

IUPAC(1-methylimidazol-2-yl)-(oxan-3-yl)methanol
SMILESCn1ccnc1C(O)C1CCCOC1
InChIInChI=1S/C10H16N2O2/c1-12-5-4-11-10(12)9(13)8-3-2-6-14-7-8/h4-5,8-9,13H,2-3,6-7H2,1H3
InChIKeyDCFMSMOACVTDGO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.88
Rot. Bonds2

About (1-methylimidazol-2-yl)-(oxan-3-yl)methanol

(1-methylimidazol-2-yl)-(oxan-3-yl)methanol (PubChem CID 63974943) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(oxan-3-yl)methanol
PubChem CID63974943
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(1-methylimidazol-2-yl)-(oxan-3-yl)methanol
SMILESCn1ccnc1C(O)C1CCCOC1
InChIInChI=1S/C10H16N2O2/c1-12-5-4-11-10(12)9(13)8-3-2-6-14-7-8/h4-5,8-9,13H,2-3,6-7H2,1H3
InChIKeyDCFMSMOACVTDGO-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

Analyze (1-methylimidazol-2-yl)-(oxan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(oxan-3-yl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(oxan-3-yl)methanol (CID 63974943) is (1-methylimidazol-2-yl)-(oxan-3-yl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(oxan-3-yl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(oxan-3-yl)methanol is Cn1ccnc1C(O)C1CCCOC1.
What is the InChIKey of (1-methylimidazol-2-yl)-(oxan-3-yl)methanol?
The InChIKey is DCFMSMOACVTDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-5-4-11-10(12)9(13)8-3-2-6-14-7-8/h4-5,8-9,13H,2-3,6-7H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(oxan-3-yl)methanol?
(1-methylimidazol-2-yl)-(oxan-3-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 (1-methylimidazol-2-yl)-(oxan-3-yl)methanol is sourced from PubChem (CID 63974943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).