ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate

C8H11N3O3 — CID 14669023

IUPACethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1/C=N/N
InChIInChI=1S/C8H11N3O3/c1-3-13-8(12)7-5(2)11-14-6(7)4-10-9/h4H,3,9H2,1-2H3/b10-4+
InChIKeyUXGGVVFWKXHKIU-ONNFQVAWSA-N
MW197.19 g/mol
LogP0.45
Rot. Bonds3

About ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate

ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 14669023) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID14669023
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1/C=N/N
InChIInChI=1S/C8H11N3O3/c1-3-13-8(12)7-5(2)11-14-6(7)4-10-9/h4H,3,9H2,1-2H3/b10-4+
InChIKeyUXGGVVFWKXHKIU-ONNFQVAWSA-N
XLogP0.45
TPSA90.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611676
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
CID 118511048
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693
ethyl 5-[(Z)-N-(4-bromoanilino)-C-ethoxycarbonylcarbonimidoyl]-3-methyl-1,2-oxazole-4-carboxylate
CID 177429263
ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
CID 44522768
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17248983
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate (CID 14669023) is ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1/C=N/N.
What is the InChIKey of ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is UXGGVVFWKXHKIU-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-13-8(12)7-5(2)11-14-6(7)4-10-9/h4H,3,9H2,1-2H3/b10-4+.
What are the key properties of ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate?
ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 14669023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).