3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane

C8H11N3O — CID 145141632

IUPAC3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane
SMILESC.Cc1ncc2noc(C)c2n1
InChIInChI=1S/C7H7N3O.CH4/c1-4-7-6(10-11-4)3-8-5(2)9-7;/h3H,1-2H3;1H4
InChIKeyQDWVCFDCXRNTDW-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.87
Rot. Bonds

About 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane

3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane (PubChem CID 145141632) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane.

Molecular Properties

Compound Name3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane
PubChem CID145141632
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane
SMILESC.Cc1ncc2noc(C)c2n1
InChIInChI=1S/C7H7N3O.CH4/c1-4-7-6(10-11-4)3-8-5(2)9-7;/h3H,1-2H3;1H4
InChIKeyQDWVCFDCXRNTDW-UHFFFAOYSA-N
XLogP1.87
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane?
The IUPAC name of 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane (CID 145141632) is 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane.
What is the SMILES notation for 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane?
The canonical SMILES for 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane is C.Cc1ncc2noc(C)c2n1.
What is the InChIKey of 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane?
The InChIKey is QDWVCFDCXRNTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.CH4/c1-4-7-6(10-11-4)3-8-5(2)9-7;/h3H,1-2H3;1H4.
What are the key properties of 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane?
3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane has a molecular weight of 165.20 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane is sourced from PubChem (CID 145141632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).