methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate

C11H16N2O3 — CID 123724423

IUPACmethyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate
SMILESCC=C/C(=N\C)C1=NOC(C)(C(=O)OC)C1
InChIInChI=1S/C11H16N2O3/c1-5-6-8(12-3)9-7-11(2,16-13-9)10(14)15-4/h5-6H,7H2,1-4H3/b6-5?,12-8+
InChIKeyOUKCQDMEDFRVIM-XANFTUCWSA-N
MW224.26 g/mol
LogP1.34
Rot. Bonds3

About methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate

methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate (PubChem CID 123724423) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate
PubChem CID123724423
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate
SMILESCC=C/C(=N\C)C1=NOC(C)(C(=O)OC)C1
InChIInChI=1S/C11H16N2O3/c1-5-6-8(12-3)9-7-11(2,16-13-9)10(14)15-4/h5-6H,7H2,1-4H3/b6-5?,12-8+
InChIKeyOUKCQDMEDFRVIM-XANFTUCWSA-N
XLogP1.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate (CID 123724423) is methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate is CC=C/C(=N\C)C1=NOC(C)(C(=O)OC)C1.
What is the InChIKey of methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate?
The InChIKey is OUKCQDMEDFRVIM-XANFTUCWSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-6-8(12-3)9-7-11(2,16-13-9)10(14)15-4/h5-6H,7H2,1-4H3/b6-5?,12-8+.
What are the key properties of methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate?
methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-(N-methyl-C-prop-1-enylcarbonimidoyl)-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 123724423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).