N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C6H9N3O3 — CID 137216584

IUPACN-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCN(C)C(=O)c1noc(=O)[nH]1
InChIInChI=1S/C6H9N3O3/c1-3-9(2)5(10)4-7-6(11)12-8-4/h3H2,1-2H3,(H,7,8,11)
InChIKeyFMOTYNAVFSDTSA-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.55
Rot. Bonds2

About N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 137216584) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID137216584
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC NameN-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCCN(C)C(=O)c1noc(=O)[nH]1
InChIInChI=1S/C6H9N3O3/c1-3-9(2)5(10)4-7-6(11)12-8-4/h3H2,1-2H3,(H,7,8,11)
InChIKeyFMOTYNAVFSDTSA-UHFFFAOYSA-N
XLogP-0.55
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 136209074
5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 137225636
N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137232774
ethane;molecular hydrogen;5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 164918002
5-Oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 124704699
N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 130685667
N,N-dimethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 130710694
N-(cyanomethyl)-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137181245
N-methyl-5-oxo-N-prop-2-ynyl-4H-1,2,4-oxadiazole-3-carboxamide
CID 137191068
3-(pyrrolidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one
CID 137210806
N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137216461
3-(3-methylazetidine-1-carbonyl)-4H-1,2,4-oxadiazol-5-one
CID 137225620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 137216584) is N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CCN(C)C(=O)c1noc(=O)[nH]1.
What is the InChIKey of N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FMOTYNAVFSDTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3-9(2)5(10)4-7-6(11)12-8-4/h3H2,1-2H3,(H,7,8,11).
What are the key properties of N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 171.16 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 137216584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).