N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

C15H21N3O2 — CID 106615340

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cc(-c2ccco2)on1)CC1CCCN1
InChIInChI=1S/C15H21N3O2/c1-2-18(10-12-5-3-7-16-12)11-13-9-15(20-17-13)14-6-4-8-19-14/h4,6,8-9,12,16H,2-3,5,7,10-11H2,1H3
InChIKeyXQBIATLXKHPHRJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.51
Rot. Bonds6

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106615340) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106615340
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cc(-c2ccco2)on1)CC1CCCN1
InChIInChI=1S/C15H21N3O2/c1-2-18(10-12-5-3-7-16-12)11-13-9-15(20-17-13)14-6-4-8-19-14/h4,6,8-9,12,16H,2-3,5,7,10-11H2,1H3
InChIKeyXQBIATLXKHPHRJ-UHFFFAOYSA-N
XLogP2.51
TPSA54.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615024
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716596
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603621
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
CID 66186647
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632392

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106615340) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(Cc1cc(-c2ccco2)on1)CC1CCCN1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is XQBIATLXKHPHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-18(10-12-5-3-7-16-12)11-13-9-15(20-17-13)14-6-4-8-19-14/h4,6,8-9,12,16H,2-3,5,7,10-11H2,1H3.
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106615340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).