N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine

C8H11N3O — CID 14341229

IUPACN-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine
SMILESCc1oncc1N=C=NC(C)C
InChIInChI=1S/C8H11N3O/c1-6(2)9-5-10-8-4-11-12-7(8)3/h4,6H,1-3H3
InChIKeyQNIIKGYDTVYFAT-UHFFFAOYSA-N
MW165.20 g/mol
LogP2.20
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine

N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine (PubChem CID 14341229) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine
PubChem CID14341229
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine
SMILESCc1oncc1N=C=NC(C)C
InChIInChI=1S/C8H11N3O/c1-6(2)9-5-10-8-4-11-12-7(8)3/h4,6H,1-3H3
InChIKeyQNIIKGYDTVYFAT-UHFFFAOYSA-N
XLogP2.20
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine?
The IUPAC name of N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine (CID 14341229) is N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine?
The canonical SMILES for N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine is Cc1oncc1N=C=NC(C)C.
What is the InChIKey of N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine?
The InChIKey is QNIIKGYDTVYFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(2)9-5-10-8-4-11-12-7(8)3/h4,6H,1-3H3.
What are the key properties of N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine?
N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine has a molecular weight of 165.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine is sourced from PubChem (CID 14341229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).