(1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one

C6H7N3O3 — CID 137263733

IUPAC(1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESCC(=O)/C(=N\O)c1nc(C)no1
InChIInChI=1S/C6H7N3O3/c1-3(10)5(8-11)6-7-4(2)9-12-6/h11H,1-2H3/b8-5+
InChIKeyGKXCNNIMUHZECB-VMPITWQZSA-N
MW169.14 g/mol
LogP0.15
Rot. Bonds2

About (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one

(1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one (PubChem CID 137263733) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one
PubChem CID137263733
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name(1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one
SMILESCC(=O)/C(=N\O)c1nc(C)no1
InChIInChI=1S/C6H7N3O3/c1-3(10)5(8-11)6-7-4(2)9-12-6/h11H,1-2H3/b8-5+
InChIKeyGKXCNNIMUHZECB-VMPITWQZSA-N
XLogP0.15
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-but-2-en-2-yl]-3-methyl-1,2,4-oxadiazole
CID 89033738
ethane;N-hydroxy-N,3-dimethyl-1,2,4-oxadiazole-5-carboxamide
CID 143899674
N-ethoxy-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 130741804
1-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]propan-2-one
CID 130671415
(3-methyl-1,2,4-oxadiazol-5-yl)-piperidin-4-ylmethanone
CID 155633060
N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29131381
iodomethane;3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 160916070
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone
CID 156545791
4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346626
(3-methyl-1,2,4-oxadiazol-5-yl) hydrogen carbonate
CID 68907025
4-(3-methyl-1,2,4-oxadiazole-5-carbonyl)piperazin-2-one
CID 29133530
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
CID 158320938

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one?
The IUPAC name of (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one (CID 137263733) is (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one.
What is the SMILES notation for (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one?
The canonical SMILES for (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one is CC(=O)/C(=N\O)c1nc(C)no1.
What is the InChIKey of (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one?
The InChIKey is GKXCNNIMUHZECB-VMPITWQZSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-3(10)5(8-11)6-7-4(2)9-12-6/h11H,1-2H3/b8-5+.
What are the key properties of (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one?
(1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one has a molecular weight of 169.14 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-hydroxyimino-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-one is sourced from PubChem (CID 137263733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).