(2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C12H15NO3 — CID 122245134

IUPAC(2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESCc1cc(C(=O)N2CC3CC2CO3)c(C)o1
InChIInChI=1S/C12H15NO3/c1-7-3-11(8(2)16-7)12(14)13-5-10-4-9(13)6-15-10/h3,9-10H,4-6H2,1-2H3
InChIKeyXTRURNZRYWVCMI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.51
Rot. Bonds1

About (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

(2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 122245134) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID122245134
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESCc1cc(C(=O)N2CC3CC2CO3)c(C)o1
InChIInChI=1S/C12H15NO3/c1-7-3-11(8(2)16-7)12(14)13-5-10-4-9(13)6-15-10/h3,9-10H,4-6H2,1-2H3
InChIKeyXTRURNZRYWVCMI-UHFFFAOYSA-N
XLogP1.51
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone with MolForge

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Related Compounds

(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 81212071
(4-tert-butylphenyl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122160451
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylfuran-3-carboxamide
CID 155502422
ethane;1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 145255190
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
methyl (1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CID 178070427
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 80504849
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 122245134) is (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is Cc1cc(C(=O)N2CC3CC2CO3)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is XTRURNZRYWVCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-3-11(8(2)16-7)12(14)13-5-10-4-9(13)6-15-10/h3,9-10H,4-6H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
(2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 122245134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).