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

C8H11N3O — CID 14341228

IUPACN'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine
SMILESCCCN=C=Nc1cnoc1C
InChIInChI=1S/C8H11N3O/c1-3-4-9-6-10-8-5-11-12-7(8)2/h5H,3-4H2,1-2H3
InChIKeyBGWPWHOYKNMJPI-UHFFFAOYSA-N
MW165.20 g/mol
LogP2.20
Rot. Bonds3

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

N'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine (PubChem CID 14341228) 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-propylmethanediimine.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine
PubChem CID14341228
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine
SMILESCCCN=C=Nc1cnoc1C
InChIInChI=1S/C8H11N3O/c1-3-4-9-6-10-8-5-11-12-7(8)2/h5H,3-4H2,1-2H3
InChIKeyBGWPWHOYKNMJPI-UHFFFAOYSA-N
XLogP2.20
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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-propylmethanediimine?
The IUPAC name of N'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine (CID 14341228) is N'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine is CCCN=C=Nc1cnoc1C.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine?
The InChIKey is BGWPWHOYKNMJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-4-9-6-10-8-5-11-12-7(8)2/h5H,3-4H2,1-2H3.
What are the key properties of N'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine?
N'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine has a molecular weight of 165.20 g/mol, XLogP of 2.20, 3 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-propylmethanediimine is sourced from PubChem (CID 14341228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).