N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

C11H19N3O — CID 62989600

IUPACN-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1nocc1CNCCCN1CCCC1
InChIInChI=1S/C11H19N3O/c1-2-6-14(5-1)7-3-4-12-8-11-9-13-15-10-11/h9-10,12H,1-8H2
InChIKeyUFQHNCPATUVNLE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.25
Rot. Bonds6

About N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 62989600) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID62989600
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESc1nocc1CNCCCN1CCCC1
InChIInChI=1S/C11H19N3O/c1-2-6-14(5-1)7-3-4-12-8-11-9-13-15-10-11/h9-10,12H,1-8H2
InChIKeyUFQHNCPATUVNLE-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

3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
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-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N-(1,2-oxazol-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103605761
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106372168
2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine
CID 62603701
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 62989600) is N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is c1nocc1CNCCCN1CCCC1.
What is the InChIKey of N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is UFQHNCPATUVNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-6-14(5-1)7-3-4-12-8-11-9-13-15-10-11/h9-10,12H,1-8H2.
What are the key properties of N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(1,2-oxazol-4-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-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 62989600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).