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

C7H9N3O3 — CID 137216461

IUPACN-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C(=O)c1noc(=O)[nH]1)C1CC1
InChIInChI=1S/C7H9N3O3/c1-10(4-2-3-4)6(11)5-8-7(12)13-9-5/h4H,2-3H2,1H3,(H,8,9,12)
InChIKeyPKUFXBUGGQQMKH-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.40
Rot. Bonds2

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

N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 137216461) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID137216461
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCN(C(=O)c1noc(=O)[nH]1)C1CC1
InChIInChI=1S/C7H9N3O3/c1-10(4-2-3-4)6(11)5-8-7(12)13-9-5/h4H,2-3H2,1H3,(H,8,9,12)
InChIKeyPKUFXBUGGQQMKH-UHFFFAOYSA-N
XLogP-0.40
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 137216461) is N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CN(C(=O)c1noc(=O)[nH]1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PKUFXBUGGQQMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10(4-2-3-4)6(11)5-8-7(12)13-9-5/h4H,2-3H2,1H3,(H,8,9,12).
What are the key properties of N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 137216461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).