N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

C11H19N3O — CID 103605761

IUPACN-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1cc(CNCCCN2CCCC2)on1
InChIInChI=1S/C11H19N3O/c1-2-8-14(7-1)9-3-5-12-10-11-4-6-13-15-11/h4,6,12H,1-3,5,7-10H2
InChIKeyFIJGMPJNPQUUTF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.25
Rot. Bonds6

About N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 103605761) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID103605761
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1cc(CNCCCN2CCCC2)on1
InChIInChI=1S/C11H19N3O/c1-2-8-14(7-1)9-3-5-12-10-11-4-6-13-15-11/h4,6,12H,1-3,5,7-10H2
InChIKeyFIJGMPJNPQUUTF-UHFFFAOYSA-N
XLogP1.25
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62989600
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259
N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657757
3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662417
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115761556
N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
CID 28657641
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 103605761) is N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is c1cc(CNCCCN2CCCC2)on1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is FIJGMPJNPQUUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-8-14(7-1)9-3-5-12-10-11-4-6-13-15-11/h4,6,12H,1-3,5,7-10H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 103605761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).