N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine

C15H17N3O — CID 139228191

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine
SMILESCc1cc(/N=C/c2ccc(N3CCCC3)cc2)no1
InChIInChI=1S/C15H17N3O/c1-12-10-15(17-19-12)16-11-13-4-6-14(7-5-13)18-8-2-3-9-18/h4-7,10-11H,2-3,8-9H2,1H3/b16-11+
InChIKeyGTBHABBDQLGDMV-LFIBNONCSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine

N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 139228191) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID139228191
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine
SMILESCc1cc(/N=C/c2ccc(N3CCCC3)cc2)no1
InChIInChI=1S/C15H17N3O/c1-12-10-15(17-19-12)16-11-13-4-6-14(7-5-13)18-8-2-3-9-18/h4-7,10-11H,2-3,8-9H2,1H3/b16-11+
InChIKeyGTBHABBDQLGDMV-LFIBNONCSA-N
XLogP3.33
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine (CID 139228191) is N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine is Cc1cc(/N=C/c2ccc(N3CCCC3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is GTBHABBDQLGDMV-LFIBNONCSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-10-15(17-19-12)16-11-13-4-6-14(7-5-13)18-8-2-3-9-18/h4-7,10-11H,2-3,8-9H2,1H3/b16-11+.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine?
N-(5-methyl-1,2-oxazol-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 255.32 g/mol, XLogP of 3.33, 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-3-yl)-1-(4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 139228191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).