3-methyl-[1,2]oxazolo[4,5-d]pyrimidine

C6H5N3O — CID 58110695

IUPAC3-methyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCc1noc2cncnc12
InChIInChI=1S/C6H5N3O/c1-4-6-5(10-9-4)2-7-3-8-6/h2-3H,1H3
InChIKeyWOSQCWDCECRLHB-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.93
Rot. Bonds

About 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine

3-methyl-[1,2]oxazolo[4,5-d]pyrimidine (PubChem CID 58110695) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-[1,2]oxazolo[4,5-d]pyrimidine
PubChem CID58110695
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3-methyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCc1noc2cncnc12
InChIInChI=1S/C6H5N3O/c1-4-6-5(10-9-4)2-7-3-8-6/h2-3H,1H3
InChIKeyWOSQCWDCECRLHB-UHFFFAOYSA-N
XLogP0.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine?
The IUPAC name of 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine (CID 58110695) is 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine is Cc1noc2cncnc12.
What is the InChIKey of 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine?
The InChIKey is WOSQCWDCECRLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-6-5(10-9-4)2-7-3-8-6/h2-3H,1H3.
What are the key properties of 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine?
3-methyl-[1,2]oxazolo[4,5-d]pyrimidine has a molecular weight of 135.13 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,2]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 58110695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).