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

C8H11N3O — CID 144655674

IUPACethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCC.Cc1noc2cncnc12
InChIInChI=1S/C6H5N3O.C2H6/c1-4-6-5(10-9-4)2-7-3-8-6;1-2/h2-3H,1H3;1-2H3
InChIKeyFBWYDOMZWHKCRV-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.95
Rot. Bonds

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

ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine (PubChem CID 144655674) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Nameethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine
PubChem CID144655674
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Nameethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESCC.Cc1noc2cncnc12
InChIInChI=1S/C6H5N3O.C2H6/c1-4-6-5(10-9-4)2-7-3-8-6;1-2/h2-3H,1H3;1-2H3
InChIKeyFBWYDOMZWHKCRV-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine?
The IUPAC name of ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine (CID 144655674) is ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine is CC.Cc1noc2cncnc12.
What is the InChIKey of ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine?
The InChIKey is FBWYDOMZWHKCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.C2H6/c1-4-6-5(10-9-4)2-7-3-8-6;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine?
ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine has a molecular weight of 165.20 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 144655674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).