ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one

C7H16N2O2 — CID 143969788

IUPACethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one
SMILESCC.CC(C)c1noc(=O)[nH]1.[H][H]
InChIInChI=1S/C5H8N2O2.C2H6.H2/c1-3(2)4-6-5(8)9-7-4;1-2;/h3H,1-2H3,(H,6,7,8);1-2H3;1H
InChIKeyWZVUUXAEDXOTNM-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.76
Rot. Bonds1

About ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one

ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one (PubChem CID 143969788) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Nameethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one
PubChem CID143969788
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one
SMILESCC.CC(C)c1noc(=O)[nH]1.[H][H]
InChIInChI=1S/C5H8N2O2.C2H6.H2/c1-3(2)4-6-5(8)9-7-4;1-2;/h3H,1-2H3,(H,6,7,8);1-2H3;1H
InChIKeyWZVUUXAEDXOTNM-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one (CID 143969788) is ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one is CC.CC(C)c1noc(=O)[nH]1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is WZVUUXAEDXOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.C2H6.H2/c1-3(2)4-6-5(8)9-7-4;1-2;/h3H,1-2H3,(H,6,7,8);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one?
ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 160.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 143969788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).