N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine

C12H15N3O2 — CID 66186647

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1cc(-c2ccco2)on1)C1CNC1
InChIInChI=1S/C12H15N3O2/c1-15(10-6-13-7-10)8-9-5-12(17-14-9)11-3-2-4-16-11/h2-5,10,13H,6-8H2,1H3
InChIKeyCKJITGLHZWHDFT-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.34
Rot. Bonds4

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine (PubChem CID 66186647) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
PubChem CID66186647
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
SMILESCN(Cc1cc(-c2ccco2)on1)C1CNC1
InChIInChI=1S/C12H15N3O2/c1-15(10-6-13-7-10)8-9-5-12(17-14-9)11-3-2-4-16-11/h2-5,10,13H,6-8H2,1H3
InChIKeyCKJITGLHZWHDFT-UHFFFAOYSA-N
XLogP1.34
TPSA54.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 16188844
(2,6-Dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 3463564
[5-(2-Furanyl)-3-isoxazolyl]-(4-methyl-1-piperidinyl)methanone
CID 4609473
N-cyclohexyl-2-[(5-(2-furyl)isoxazol-3-yl)methoxy]acetamide
CID 17254259
5-(2-furyl)-N-isobutylisoxazole-3-carboxamide
CID 3236696
N-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3238209
4-{[5-(2-Furyl)isoxazol-3-yl]carbonyl}morpholine
CID 3239637
5-(furan-2-yl)-N-propyl-1,2-oxazole-3-carboxamide
CID 3240242
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3245765
5-(furan-2-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3235773
5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 3238493

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine (CID 66186647) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine is CN(Cc1cc(-c2ccco2)on1)C1CNC1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine?
The InChIKey is CKJITGLHZWHDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(10-6-13-7-10)8-9-5-12(17-14-9)11-3-2-4-16-11/h2-5,10,13H,6-8H2,1H3.
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine has a molecular weight of 233.27 g/mol, XLogP of 1.34, 4 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-methylazetidin-3-amine is sourced from PubChem (CID 66186647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).