[5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C12H16N4O3 — CID 134162907

IUPAC[5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN=[N+]=[N-])o2)C[C@H](C)O1
InChIInChI=1S/C12H16N4O3/c1-8-6-16(7-9(2)18-8)12(17)11-4-3-10(19-11)5-14-15-13/h3-4,8-9H,5-7H2,1-2H3/t8-,9+
InChIKeyOBKRJWPLGHLLLZ-DTORHVGOSA-N
MW264.29 g/mol
LogP2.34
Rot. Bonds3

About [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

[5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 134162907) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID134162907
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name[5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN=[N+]=[N-])o2)C[C@H](C)O1
InChIInChI=1S/C12H16N4O3/c1-8-6-16(7-9(2)18-8)12(17)11-4-3-10(19-11)5-14-15-13/h3-4,8-9H,5-7H2,1-2H3/t8-,9+
InChIKeyOBKRJWPLGHLLLZ-DTORHVGOSA-N
XLogP2.34
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[5-(azidomethyl)furan-2-yl]-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 134162813
[5-(azidomethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 134162774
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[5-(4-aminophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804498
[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 4107349
[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 124694866
[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 91679339
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111083743
4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
CID 4308263
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804554
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136

Frequently Asked Questions

What is the IUPAC name of [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 134162907) is [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccc(CN=[N+]=[N-])o2)C[C@H](C)O1.
What is the InChIKey of [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is OBKRJWPLGHLLLZ-DTORHVGOSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-6-16(7-9(2)18-8)12(17)11-4-3-10(19-11)5-14-15-13/h3-4,8-9H,5-7H2,1-2H3/t8-,9+.
What are the key properties of [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 264.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(azidomethyl)furan-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 134162907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).