1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine

C22H25N3O — CID 56662347

IUPAC1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)C3)co2)cc1
InChIInChI=1S/C22H25N3O/c1-17-7-9-19(10-8-17)22-24-21(16-26-22)13-23-20-11-12-25(15-20)14-18-5-3-2-4-6-18/h2-10,16,20,23H,11-15H2,1H3
InChIKeyFUMCGDZTNFEFCB-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.01
Rot. Bonds6

About 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine

1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine (PubChem CID 56662347) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
PubChem CID56662347
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)C3)co2)cc1
InChIInChI=1S/C22H25N3O/c1-17-7-9-19(10-8-17)22-24-21(16-26-22)13-23-20-11-12-25(15-20)14-18-5-3-2-4-6-18/h2-10,16,20,23H,11-15H2,1H3
InChIKeyFUMCGDZTNFEFCB-UHFFFAOYSA-N
XLogP4.01
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine (CID 56662347) is 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine is Cc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)C3)co2)cc1.
What is the InChIKey of 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
The InChIKey is FUMCGDZTNFEFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-7-9-19(10-8-17)22-24-21(16-26-22)13-23-20-11-12-25(15-20)14-18-5-3-2-4-6-18/h2-10,16,20,23H,11-15H2,1H3.
What are the key properties of 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine?
1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine has a molecular weight of 347.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 56662347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).