[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine

C15H19N3O — CID 62412837

IUPAC[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(CN2CCC(c3ccccc3)C2)on1
InChIInChI=1S/C15H19N3O/c16-9-14-8-15(19-17-14)11-18-7-6-13(10-18)12-4-2-1-3-5-12/h1-5,8,13H,6-7,9-11,16H2
InChIKeyXRZRQWPOZODDFK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.12
Rot. Bonds4

About [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine

[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62412837) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62412837
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(CN2CCC(c3ccccc3)C2)on1
InChIInChI=1S/C15H19N3O/c16-9-14-8-15(19-17-14)11-18-7-6-13(10-18)12-4-2-1-3-5-12/h1-5,8,13H,6-7,9-11,16H2
InChIKeyXRZRQWPOZODDFK-UHFFFAOYSA-N
XLogP2.12
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine (CID 62412837) is [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine is NCc1cc(CN2CCC(c3ccccc3)C2)on1.
What is the InChIKey of [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is XRZRQWPOZODDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-14-8-15(19-17-14)11-18-7-6-13(10-18)12-4-2-1-3-5-12/h1-5,8,13H,6-7,9-11,16H2.
What are the key properties of [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine?
[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62412837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).