5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C7H10N4O3 — CID 102790953

IUPAC5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNOCc1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C7H10N4O3/c8-13-3-5-10-6(11-14-5)7(12)9-4-1-2-4/h4H,1-3,8H2,(H,9,12)
InChIKeyDDAYHGPAGZGJKC-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.65
Rot. Bonds4

About 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790953) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790953
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNOCc1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C7H10N4O3/c8-13-3-5-10-6(11-14-5)7(12)9-4-1-2-4/h4H,1-3,8H2,(H,9,12)
InChIKeyDDAYHGPAGZGJKC-UHFFFAOYSA-N
XLogP-0.65
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790931
5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790819
N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790857
N-cyclopropyl-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790886
5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 106527877
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102791029
tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102791043
5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102791051
N-cyclopropyl-5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102791072
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790929
N-cyclopropyl-5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790924

Frequently Asked Questions

What is the IUPAC name of 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102790953) is 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is NOCc1nc(C(=O)NC2CC2)no1.
What is the InChIKey of 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DDAYHGPAGZGJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-13-3-5-10-6(11-14-5)7(12)9-4-1-2-4/h4H,1-3,8H2,(H,9,12).
What are the key properties of 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 198.18 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).