methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate

C11H11N3O2 — CID 153410770

IUPACmethyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate
SMILESCO/C(=N\c1ccncc1)c1cc(C)on1
InChIInChI=1S/C11H11N3O2/c1-8-7-10(14-16-8)11(15-2)13-9-3-5-12-6-4-9/h3-7H,1-2H3/b13-11-
InChIKeyRBUGLHGBXOKKMP-QBFSEMIESA-N
MW217.23 g/mol
LogP2.10
Rot. Bonds2

About methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate

methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate (PubChem CID 153410770) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate.

Molecular Properties

Compound Namemethyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate
PubChem CID153410770
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate
SMILESCO/C(=N\c1ccncc1)c1cc(C)on1
InChIInChI=1S/C11H11N3O2/c1-8-7-10(14-16-8)11(15-2)13-9-3-5-12-6-4-9/h3-7H,1-2H3/b13-11-
InChIKeyRBUGLHGBXOKKMP-QBFSEMIESA-N
XLogP2.10
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate?
The IUPAC name of methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate (CID 153410770) is methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate.
What is the SMILES notation for methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate?
The canonical SMILES for methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate is CO/C(=N\c1ccncc1)c1cc(C)on1.
What is the InChIKey of methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate?
The InChIKey is RBUGLHGBXOKKMP-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-7-10(14-16-8)11(15-2)13-9-3-5-12-6-4-9/h3-7H,1-2H3/b13-11-.
What are the key properties of methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate?
methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate has a molecular weight of 217.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate is sourced from PubChem (CID 153410770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).