ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid

C6H10N2O3 — CID 142916198

IUPACethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid
SMILESCC.Cc1nonc1C(=O)O
InChIInChI=1S/C4H4N2O3.C2H6/c1-2-3(4(7)8)6-9-5-2;1-2/h1H3,(H,7,8);1-2H3
InChIKeyIPXGHBDOIHANQF-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.10
Rot. Bonds1

About ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid

ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 142916198) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Nameethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID142916198
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Nameethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid
SMILESCC.Cc1nonc1C(=O)O
InChIInChI=1S/C4H4N2O3.C2H6/c1-2-3(4(7)8)6-9-5-2;1-2/h1H3,(H,7,8);1-2H3
InChIKeyIPXGHBDOIHANQF-UHFFFAOYSA-N
XLogP1.10
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid (CID 142916198) is ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid is CC.Cc1nonc1C(=O)O.
What is the InChIKey of ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is IPXGHBDOIHANQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3.C2H6/c1-2-3(4(7)8)6-9-5-2;1-2/h1H3,(H,7,8);1-2H3.
What are the key properties of ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid?
ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 158.16 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 142916198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).