(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol

C9H9N3O2 — CID 67158426

IUPAC(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol
SMILESCc1onc(-c2ccncn2)c1CO
InChIInChI=1S/C9H9N3O2/c1-6-7(4-13)9(12-14-6)8-2-3-10-5-11-8/h2-3,5,13H,4H2,1H3
InChIKeyZCYGIHPNAHDXQP-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.93
Rot. Bonds2

About (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol

(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol (PubChem CID 67158426) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol
PubChem CID67158426
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol
SMILESCc1onc(-c2ccncn2)c1CO
InChIInChI=1S/C9H9N3O2/c1-6-7(4-13)9(12-14-6)8-2-3-10-5-11-8/h2-3,5,13H,4H2,1H3
InChIKeyZCYGIHPNAHDXQP-UHFFFAOYSA-N
XLogP0.93
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol?
The IUPAC name of (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol (CID 67158426) is (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol.
What is the SMILES notation for (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol?
The canonical SMILES for (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol is Cc1onc(-c2ccncn2)c1CO.
What is the InChIKey of (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol?
The InChIKey is ZCYGIHPNAHDXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-7(4-13)9(12-14-6)8-2-3-10-5-11-8/h2-3,5,13H,4H2,1H3.
What are the key properties of (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol?
(5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol has a molecular weight of 191.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyrimidin-4-yl-1,2-oxazol-4-yl)methanol is sourced from PubChem (CID 67158426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).