N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide

C7H9N3O3 — CID 137216292

IUPACN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1noc(=O)[nH]1)C1CC1
InChIInChI=1S/C7H9N3O3/c11-6(4-1-2-4)8-3-5-9-7(12)13-10-5/h4H,1-3H2,(H,8,11)(H,9,10,12)
InChIKeyQDGMMJXJDKEMGD-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.61
Rot. Bonds3

About N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide

N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 137216292) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide
PubChem CID137216292
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1noc(=O)[nH]1)C1CC1
InChIInChI=1S/C7H9N3O3/c11-6(4-1-2-4)8-3-5-9-7(12)13-10-5/h4H,1-3H2,(H,8,11)(H,9,10,12)
InChIKeyQDGMMJXJDKEMGD-UHFFFAOYSA-N
XLogP-0.61
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide (CID 137216292) is N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide is O=C(NCc1noc(=O)[nH]1)C1CC1.
What is the InChIKey of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is QDGMMJXJDKEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-6(4-1-2-4)8-3-5-9-7(12)13-10-5/h4H,1-3H2,(H,8,11)(H,9,10,12).
What are the key properties of N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide?
N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 137216292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).