butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen

C7H16N2O2 — CID 144512951

IUPACbutane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
SMILESCCCC.Cc1noc(=O)[nH]1.[H][H]
InChIInChI=1S/C4H10.C3H4N2O2.H2/c1-3-4-2;1-2-4-3(6)7-5-2;/h3-4H2,1-2H3;1H3,(H,4,5,6);1H
InChIKeyPPHUTOYYHVZSPZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.72
Rot. Bonds1

About butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen

butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen (PubChem CID 144512951) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen.

Molecular Properties

Compound Namebutane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
PubChem CID144512951
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Namebutane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen
SMILESCCCC.Cc1noc(=O)[nH]1.[H][H]
InChIInChI=1S/C4H10.C3H4N2O2.H2/c1-3-4-2;1-2-4-3(6)7-5-2;/h3-4H2,1-2H3;1H3,(H,4,5,6);1H
InChIKeyPPHUTOYYHVZSPZ-UHFFFAOYSA-N
XLogP1.72
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen?
The IUPAC name of butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen (CID 144512951) is butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen.
What is the SMILES notation for butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen?
The canonical SMILES for butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen is CCCC.Cc1noc(=O)[nH]1.[H][H].
What is the InChIKey of butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen?
The InChIKey is PPHUTOYYHVZSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H4N2O2.H2/c1-3-4-2;1-2-4-3(6)7-5-2;/h3-4H2,1-2H3;1H3,(H,4,5,6);1H.
What are the key properties of butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen?
butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen has a molecular weight of 160.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-methyl-4H-1,2,4-oxadiazol-5-one;molecular hydrogen is sourced from PubChem (CID 144512951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).