methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid

C9H9N3O3 — CID 158674746

IUPACmethane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid
SMILESC.O=C(O)c1cc(-c2cnccn2)no1
InChIInChI=1S/C8H5N3O3.CH4/c12-8(13)7-3-5(11-14-7)6-4-9-1-2-10-6;/h1-4H,(H,12,13);1H4
InChIKeyIEJKJQRGACEELK-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.47
Rot. Bonds2

About methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid

methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 158674746) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Namemethane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid
PubChem CID158674746
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Namemethane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid
SMILESC.O=C(O)c1cc(-c2cnccn2)no1
InChIInChI=1S/C8H5N3O3.CH4/c12-8(13)7-3-5(11-14-7)6-4-9-1-2-10-6;/h1-4H,(H,12,13);1H4
InChIKeyIEJKJQRGACEELK-UHFFFAOYSA-N
XLogP1.47
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid (CID 158674746) is methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid is C.O=C(O)c1cc(-c2cnccn2)no1.
What is the InChIKey of methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is IEJKJQRGACEELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3.CH4/c12-8(13)7-3-5(11-14-7)6-4-9-1-2-10-6;/h1-4H,(H,12,13);1H4.
What are the key properties of methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid?
methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 158674746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).