5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C11H14N4O4 — CID 79507342

IUPAC5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC1CC(=O)N(Cc2cc(C(=O)NN)no2)C(=O)C1
InChIInChI=1S/C11H14N4O4/c1-6-2-9(16)15(10(17)3-6)5-7-4-8(14-19-7)11(18)13-12/h4,6H,2-3,5,12H2,1H3,(H,13,18)
InChIKeyMCIBHGPCSDTCNO-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.44
Rot. Bonds3

About 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 79507342) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID79507342
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC1CC(=O)N(Cc2cc(C(=O)NN)no2)C(=O)C1
InChIInChI=1S/C11H14N4O4/c1-6-2-9(16)15(10(17)3-6)5-7-4-8(14-19-7)11(18)13-12/h4,6H,2-3,5,12H2,1H3,(H,13,18)
InChIKeyMCIBHGPCSDTCNO-UHFFFAOYSA-N
XLogP-0.44
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 79507342) is 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is CC1CC(=O)N(Cc2cc(C(=O)NN)no2)C(=O)C1.
What is the InChIKey of 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is MCIBHGPCSDTCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-6-2-9(16)15(10(17)3-6)5-7-4-8(14-19-7)11(18)13-12/h4,6H,2-3,5,12H2,1H3,(H,13,18).
What are the key properties of 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 266.26 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 79507342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).