N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine

C12H21N3O — CID 81177841

IUPACN-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2ccon2)C1
InChIInChI=1S/C12H21N3O/c1-2-5-13-8-11-3-6-15(9-11)10-12-4-7-16-14-12/h4,7,11,13H,2-3,5-6,8-10H2,1H3
InChIKeyLQKXIBKDBWGXJD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds6

About N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine

N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 81177841) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID81177841
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2ccon2)C1
InChIInChI=1S/C12H21N3O/c1-2-5-13-8-11-3-6-15(9-11)10-12-4-7-16-14-12/h4,7,11,13H,2-3,5-6,8-10H2,1H3
InChIKeyLQKXIBKDBWGXJD-UHFFFAOYSA-N
XLogP1.50
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
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

N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512310
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081783
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63849789
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55235310
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]methyl]propan-1-amine
CID 66191556
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95212687
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride
CID 119927525
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512867

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 81177841) is N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(Cc2ccon2)C1.
What is the InChIKey of N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is LQKXIBKDBWGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-5-13-8-11-3-6-15(9-11)10-12-4-7-16-14-12/h4,7,11,13H,2-3,5-6,8-10H2,1H3.
What are the key properties of N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 81177841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).