[(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C16H23N3O4 — CID 124912729

IUPAC[(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)on1
InChIInChI=1S/C16H23N3O4/c1-12-6-14(23-17-12)15(20)19-7-13-8-22-11-16(13,10-19)9-18-2-4-21-5-3-18/h6,13H,2-5,7-11H2,1H3/t13-,16+/m0/s1
InChIKeyDCQWPUWFLRGOOX-XJKSGUPXSA-N
MW321.38 g/mol
LogP0.40
Rot. Bonds3

About [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 124912729) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID124912729
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name[(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)on1
InChIInChI=1S/C16H23N3O4/c1-12-6-14(23-17-12)15(20)19-7-13-8-22-11-16(13,10-19)9-18-2-4-21-5-3-18/h6,13H,2-5,7-11H2,1H3/t13-,16+/m0/s1
InChIKeyDCQWPUWFLRGOOX-XJKSGUPXSA-N
XLogP0.40
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 124912729) is [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)on1.
What is the InChIKey of [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is DCQWPUWFLRGOOX-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12-6-14(23-17-12)15(20)19-7-13-8-22-11-16(13,10-19)9-18-2-4-21-5-3-18/h6,13H,2-5,7-11H2,1H3/t13-,16+/m0/s1.
What are the key properties of [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 124912729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).