ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C5H11N3O3 — CID 164918002

IUPACethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC.NC(=O)c1noc(=O)[nH]1.[H][H]
InChIInChI=1S/C3H3N3O3.C2H6.H2/c4-1(7)2-5-3(8)9-6-2;1-2;/h(H2,4,7)(H,5,6,8);1-2H3;1H
InChIKeyVXTYGPSEBIKEBR-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.27
Rot. Bonds1

About ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 164918002) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID164918002
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Nameethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC.NC(=O)c1noc(=O)[nH]1.[H][H]
InChIInChI=1S/C3H3N3O3.C2H6.H2/c4-1(7)2-5-3(8)9-6-2;1-2;/h(H2,4,7)(H,5,6,8);1-2H3;1H
InChIKeyVXTYGPSEBIKEBR-UHFFFAOYSA-N
XLogP-0.27
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 164918002) is ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CC.NC(=O)c1noc(=O)[nH]1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VXTYGPSEBIKEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.C2H6.H2/c4-1(7)2-5-3(8)9-6-2;1-2;/h(H2,4,7)(H,5,6,8);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 161.16 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 164918002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).