(E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine

C16H19N3O3 — CID 100672675

IUPAC(E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(OCc2noc(C3CC3)n2)c(C)c1
InChIInChI=1S/C16H19N3O3/c1-10-8-13(11(2)18-20-3)6-7-14(10)21-9-15-17-16(22-19-15)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3/b18-11+
InChIKeyMJLWHAIRQBZOAS-WOJGMQOQSA-N
MW301.35 g/mol
LogP3.20
Rot. Bonds6

About (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine

(E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine (PubChem CID 100672675) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine
PubChem CID100672675
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(OCc2noc(C3CC3)n2)c(C)c1
InChIInChI=1S/C16H19N3O3/c1-10-8-13(11(2)18-20-3)6-7-14(10)21-9-15-17-16(22-19-15)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3/b18-11+
InChIKeyMJLWHAIRQBZOAS-WOJGMQOQSA-N
XLogP3.20
TPSA69.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine?
The IUPAC name of (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine (CID 100672675) is (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine.
What is the SMILES notation for (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine?
The canonical SMILES for (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine is CO/N=C(\C)c1ccc(OCc2noc(C3CC3)n2)c(C)c1.
What is the InChIKey of (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine?
The InChIKey is MJLWHAIRQBZOAS-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-8-13(11(2)18-20-3)6-7-14(10)21-9-15-17-16(22-19-15)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3/b18-11+.
What are the key properties of (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine?
(E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine has a molecular weight of 301.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]-N-methoxyethanimine is sourced from PubChem (CID 100672675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).