5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine

C7H7N3O — CID 145409612

IUPAC5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCc1nc(C)c2oncc2n1
InChIInChI=1S/C7H7N3O/c1-4-7-6(3-8-11-7)10-5(2)9-4/h3H,1-2H3
InChIKeyFFHNIVHSFYWWOI-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.23
Rot. Bonds

About 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine

5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine (PubChem CID 145409612) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine
PubChem CID145409612
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCc1nc(C)c2oncc2n1
InChIInChI=1S/C7H7N3O/c1-4-7-6(3-8-11-7)10-5(2)9-4/h3H,1-2H3
InChIKeyFFHNIVHSFYWWOI-UHFFFAOYSA-N
XLogP1.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-[1,2]oxazolo[5,4-c]pyridine
CID 118899227
ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine
CID 143976601
2,4-dimethylfuro[3,4-d]pyrimidine
CID 89274453
[1,2]oxazolo[4,5-d][1,2]oxazole
CID 118210659
7-iodo-4-methyl-[1,2]oxazolo[4,5-d]pyridazine
CID 174263690
7-bromo-6-methyl-1,2-benzoxazole
CID 130063933
ethane;1,5,7-trimethylpyrazolo[4,3-d]pyrimidine
CID 163275069
5-iodo-6-methyl-[1,2]oxazolo[4,5-b]pyridine
CID 134514187
7-fluoro-1,2-benzoxazole
CID 54539975
(7-methyl-[1,2]oxazolo[5,4-c]pyridin-4-yl)methanol
CID 101492948
5,6-di(propan-2-yl)-[1,2]oxazolo[4,5-b]pyrazine
CID 129014323
5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine
CID 153487640

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine?
The IUPAC name of 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine (CID 145409612) is 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine is Cc1nc(C)c2oncc2n1.
What is the InChIKey of 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine?
The InChIKey is FFHNIVHSFYWWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-4-7-6(3-8-11-7)10-5(2)9-4/h3H,1-2H3.
What are the key properties of 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine?
5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine has a molecular weight of 149.15 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-[1,2]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 145409612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).