N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C7H9N3O3 — CID 137181222

IUPACN-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC1CC1NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-3-2-4(3)8-6(11)5-9-7(12)13-10-5/h3-4H,2H2,1H3,(H,8,11)(H,9,10,12)
InChIKeyVCDCAYMNGOKUMR-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.50
Rot. Bonds2

About N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 137181222) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID137181222
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC1CC1NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-3-2-4(3)8-6(11)5-9-7(12)13-10-5/h3-4H,2H2,1H3,(H,8,11)(H,9,10,12)
InChIKeyVCDCAYMNGOKUMR-UHFFFAOYSA-N
XLogP-0.50
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 137225636
(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 137184745
N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide
CID 137216292
N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137216461
N-(cyclopropylmethyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137216587
1-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 137239610
N-cyclobutyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243238
N-butan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137243240

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 137181222) is N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CC1CC1NC(=O)c1noc(=O)[nH]1.
What is the InChIKey of N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VCDCAYMNGOKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3-2-4(3)8-6(11)5-9-7(12)13-10-5/h3-4H,2H2,1H3,(H,8,11)(H,9,10,12).
What are the key properties of N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 137181222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).