3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole

C9H9N3O — CID 44820609

IUPAC3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole
SMILESCc1noc(C)c1-c1ncccn1
InChIInChI=1S/C9H9N3O/c1-6-8(7(2)13-12-6)9-10-4-3-5-11-9/h3-5H,1-2H3
InChIKeyRJRHXYMRKJVJJB-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.75
Rot. Bonds1

About 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole

3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole (PubChem CID 44820609) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole
PubChem CID44820609
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole
SMILESCc1noc(C)c1-c1ncccn1
InChIInChI=1S/C9H9N3O/c1-6-8(7(2)13-12-6)9-10-4-3-5-11-9/h3-5H,1-2H3
InChIKeyRJRHXYMRKJVJJB-UHFFFAOYSA-N
XLogP1.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole (CID 44820609) is 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole is Cc1noc(C)c1-c1ncccn1.
What is the InChIKey of 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole?
The InChIKey is RJRHXYMRKJVJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-8(7(2)13-12-6)9-10-4-3-5-11-9/h3-5H,1-2H3.
What are the key properties of 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole?
3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole has a molecular weight of 175.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pyrimidin-2-yl-1,2-oxazole is sourced from PubChem (CID 44820609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).