[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol

C9H11N3O2 — CID 63108385

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol
SMILESCc1noc(C)c1-c1ncc(CO)[nH]1
InChIInChI=1S/C9H11N3O2/c1-5-8(6(2)14-12-5)9-10-3-7(4-13)11-9/h3,13H,4H2,1-2H3,(H,10,11)
InChIKeyPHCOLLOOVXSZBW-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.17
Rot. Bonds2

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol (PubChem CID 63108385) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol
PubChem CID63108385
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol
SMILESCc1noc(C)c1-c1ncc(CO)[nH]1
InChIInChI=1S/C9H11N3O2/c1-5-8(6(2)14-12-5)9-10-3-7(4-13)11-9/h3,13H,4H2,1-2H3,(H,10,11)
InChIKeyPHCOLLOOVXSZBW-UHFFFAOYSA-N
XLogP1.17
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol (CID 63108385) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol is Cc1noc(C)c1-c1ncc(CO)[nH]1.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol?
The InChIKey is PHCOLLOOVXSZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-8(6(2)14-12-5)9-10-3-7(4-13)11-9/h3,13H,4H2,1-2H3,(H,10,11).
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol has a molecular weight of 193.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 63108385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).